bromomethane;1-bromo-4-[(E)-2-phenylethenyl]benzene;bis(1H-indole);4-iodo-2-nitroaniline;6-[(E)-2-phenylethenyl]-1H-benzimidazol-2-amine;5-[4-[(E)-2-phenylethenyl]phenyl]-1H-imidazol-2-amine;[(E)-prop-1-enyl]benzene

C78H71Br2IN10O2 — CID 158267085

IUPACbromomethane;1-bromo-4-[(E)-2-phenylethenyl]benzene;bis(1H-indole);4-iodo-2-nitroaniline;6-[(E)-2-phenylethenyl]-1H-benzimidazol-2-amine;5-[4-[(E)-2-phenylethenyl]phenyl]-1H-imidazol-2-amine;[(E)-prop-1-enyl]benzene
SMILESBrc1ccc(/C=C/c2ccccc2)cc1.C/C=C/c1ccccc1.CBr.Nc1ccc(I)cc1[N+](=O)[O-].Nc1nc2ccc(/C=C/c3ccccc3)cc2[nH]1.Nc1ncc(-c2ccc(/C=C/c3ccccc3)cc2)[nH]1.c1ccc2[nH]ccc2c1.c1ccc2[nH]ccc2c1
InChIInChI=1S/C17H15N3.C15H13N3.C14H11Br.C9H10.2C8H7N.C6H5IN2O2.CH3Br/c18-17-19-12-16(20-17)15-10-8-14(9-11-15)7-6-13-4-2-1-3-5-13;16-15-17-13-9-8-12(10-14(13)18-15)7-6-11-4-2-1-3-5-11;15-14-10-8-13(9-11-14)7-6-12-4-2-1-3-5-12;1-2-6-9-7-4-3-5-8-9;2*1-2-4-8-7(3-1)5-6-9-8;7-4-1-2-5(8)6(3-4)9(10)11;1-2/h1-12H,(H3,18,19,20);1-10H,(H3,16,17,18);1-11H;2-8H,1H3;2*1-6,9H;1-3H,8H2;1H3/b3*7-6+;6-2+;;;;
InChIKeyGIOUKAGJAMMGIO-RJDVBAHASA-N
MW1467.21 g/mol
LogP21.61
Rot. Bonds9

About bromomethane;1-bromo-4-[(E)-2-phenylethenyl]benzene;bis(1H-indole);4-iodo-2-nitroaniline;6-[(E)-2-phenylethenyl]-1H-benzimidazol-2-amine;5-[4-[(E)-2-phenylethenyl]phenyl]-1H-imidazol-2-amine;[(E)-prop-1-enyl]benzene

bromomethane;1-bromo-4-[(E)-2-phenylethenyl]benzene;bis(1H-indole);4-iodo-2-nitroaniline;6-[(E)-2-phenylethenyl]-1H-benzimidazol-2-amine;5-[4-[(E)-2-phenylethenyl]phenyl]-1H-imidazol-2-amine;[(E)-prop-1-enyl]benzene (PubChem CID 158267085) has the molecular formula C78H71Br2IN10O2 and a molecular weight of 1467.21 g/mol. Its IUPAC name is bromomethane;1-bromo-4-[(E)-2-phenylethenyl]benzene;bis(1H-indole);4-iodo-2-nitroaniline;6-[(E)-2-phenylethenyl]-1H-benzimidazol-2-amine;5-[4-[(E)-2-phenylethenyl]phenyl]-1H-imidazol-2-amine;[(E)-prop-1-enyl]benzene.

Molecular Properties

Compound Namebromomethane;1-bromo-4-[(E)-2-phenylethenyl]benzene;bis(1H-indole);4-iodo-2-nitroaniline;6-[(E)-2-phenylethenyl]-1H-benzimidazol-2-amine;5-[4-[(E)-2-phenylethenyl]phenyl]-1H-imidazol-2-amine;[(E)-prop-1-enyl]benzene
PubChem CID158267085
Molecular FormulaC78H71Br2IN10O2
Molecular Weight1467.21 g/mol
Exact Mass1464.32
IUPAC Namebromomethane;1-bromo-4-[(E)-2-phenylethenyl]benzene;bis(1H-indole);4-iodo-2-nitroaniline;6-[(E)-2-phenylethenyl]-1H-benzimidazol-2-amine;5-[4-[(E)-2-phenylethenyl]phenyl]-1H-imidazol-2-amine;[(E)-prop-1-enyl]benzene
SMILESBrc1ccc(/C=C/c2ccccc2)cc1.C/C=C/c1ccccc1.CBr.Nc1ccc(I)cc1[N+](=O)[O-].Nc1nc2ccc(/C=C/c3ccccc3)cc2[nH]1.Nc1ncc(-c2ccc(/C=C/c3ccccc3)cc2)[nH]1.c1ccc2[nH]ccc2c1.c1ccc2[nH]ccc2c1
InChIInChI=1S/C17H15N3.C15H13N3.C14H11Br.C9H10.2C8H7N.C6H5IN2O2.CH3Br/c18-17-19-12-16(20-17)15-10-8-14(9-11-15)7-6-13-4-2-1-3-5-13;16-15-17-13-9-8-12(10-14(13)18-15)7-6-11-4-2-1-3-5-11;15-14-10-8-13(9-11-14)7-6-12-4-2-1-3-5-12;1-2-6-9-7-4-3-5-8-9;2*1-2-4-8-7(3-1)5-6-9-8;7-4-1-2-5(8)6(3-4)9(10)11;1-2/h1-12H,(H3,18,19,20);1-10H,(H3,16,17,18);1-11H;2-8H,1H3;2*1-6,9H;1-3H,8H2;1H3/b3*7-6+;6-2+;;;;
InChIKeyGIOUKAGJAMMGIO-RJDVBAHASA-N
XLogP21.61
TPSA210.14 Ų
H-Bond Donors7
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms93
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001467.21
LogP ≤ 521.61
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

bromomethane;(E)-2-(5-bromo-2-methylphenyl)-N-[2-(1H-indol-3-yl)-3H-phenanthro[9,10-d]imidazol-6-yl]-4-methylhex-2-en-1-imine
CID 143655513
3-[4,5-bis(4-phenylphenyl)-1H-imidazol-2-yl]-5-bromo-1H-indole;5-bromo-3-[5-(4-bromophenyl)-4-phenyl-1H-imidazol-2-yl]-1H-indole;3-[5-(4-bromophenyl)-4-phenyl-1H-imidazol-2-yl]-2-methyl-1H-indole
CID 157102092
2-(5-bromo-1H-indol-3-yl)-N-[(5-bromo-1H-indol-3-yl)methyl]-1H-phenanthro[9,10-d]imidazol-5-amine;1-(5-bromo-1H-indol-3-yl)-N-[2-(2-methyl-1H-indol-3-yl)-3H-phenanthro[9,10-d]imidazol-5-yl]methanimine;N-[(5-bromo-1H-indol-3-yl)methyl]-2-(2-methyl-1H-indol-3-yl)-1H-phenanthro[9,10-d]imidazol-5-amine;5,10-dibromo-2-(5-bromo-1H-indol-3-yl)-1H-phenanthro[9,10-d]imidazole;molecular hydrogen
CID 157131553
2-(5-bromo-1H-indol-3-yl)-5-iodo-1H-phenanthro[9,10-d]imidazole;bis(2-(5-bromo-1H-indol-3-yl)-5-nitro-1H-phenanthro[9,10-d]imidazole);2-(1H-indol-3-yl)-5-nitro-1H-phenanthro[9,10-d]imidazole;2-(2-phenyl-1H-indol-3-yl)-1H-phenanthro[9,10-d]imidazole
CID 157263919
2-(5-bromo-1H-indol-3-yl)-N-[(5-bromo-1H-indol-3-yl)methyl]-1H-phenanthro[9,10-d]imidazol-5-amine;N-[(5-bromo-1H-indol-3-yl)methyl]-2-(1H-indol-3-yl)-1H-phenanthro[9,10-d]imidazol-5-amine;N-[(5-bromo-1H-indol-3-yl)methyl]-2-(2-methyl-1H-indol-3-yl)-1H-phenanthro[9,10-d]imidazol-5-amine;5,10-dibromo-2-(5-bromo-1H-indol-3-yl)-1H-phenanthro[9,10-d]imidazole
CID 157366014
2-(3-bromophenyl)pyridine;2-(1-methylbenzimidazol-2-yl)-9H-carbazole;2-(1-methylbenzimidazol-2-yl)-9-(3-pyridin-2-ylphenyl)carbazole
CID 157413309
3-[4,5-bis(3-iodophenyl)-1H-imidazol-2-yl]-5-bromo-1H-indole;2-(5-bromo-1H-indol-3-yl)-5-nitro-1H-phenanthro[9,10-d]imidazole;2-(5-fluoro-1H-indol-3-yl)-1H-phenanthro[9,10-d]imidazole;2-(1H-indol-3-yl)-5-nitro-1H-phenanthro[9,10-d]imidazole;2-methyl-3-[4-phenyl-5-(4-phenylphenyl)-1H-imidazol-2-yl]-1H-indole
CID 157447818
6-methyl-1H-benzimidazole;5-methyl-4-nitro-1H-benzimidazole;4-[(5-methyl-4-nitrobenzimidazol-1-yl)methyl]quinoline;5-methyl-1-(quinolin-4-ylmethyl)benzimidazol-4-amine
CID 157767449
3-[4,5-bis(4-phenylphenyl)-1H-imidazol-2-yl]-5-bromo-1H-indole;5-bromo-3-[5-(4-bromophenyl)-4-phenyl-1H-imidazol-2-yl]-1H-indole;3-[5-(4-bromophenyl)-4-phenyl-1H-imidazol-2-yl]-2-methyl-1H-indole;2-(2-methyl-1H-indol-3-yl)-1H-phenanthro[9,10-d]imidazole
CID 157925021
1-bromo-3-methylbenzene;N-(3-bromophenyl)-4-cyclohexyl-2-nitroaniline;5-cyclohexyl-1-(3-imidazol-1-ylphenyl)benzimidazole;4-cyclohexyl-N-(3-imidazol-1-ylphenyl)-2-nitroaniline;4-cyclohexyl-2-nitroaniline;1H-imidazole
CID 158096041
2-[3-(aminomethyl)phenyl]-3H-phenanthro[9,10-b]pyrrole-5,10-diamine;2-(5-bromo-1H-indol-3-yl)-3a,11b-dihydro-1H-phenanthro[9,10-d]imidazole-5,10-diamine;2-(5-bromo-1H-indol-3-yl)-N-[(5-bromo-1H-indol-3-yl)methyl]-1H-phenanthro[9,10-d]imidazol-5-amine;2-(5-bromo-1H-indol-3-yl)-5,10-dinitro-3a,11b-dihydro-1H-phenanthro[9,10-d]imidazole;5,10-dibromo-2-(5-bromo-1H-indol-3-yl)-1H-phenanthro[9,10-d]imidazole
CID 158165642
3-[4,5-bis(3-nitrophenyl)-1H-imidazol-2-yl]-5-bromo-1H-indole;5-bromo-3-[5-(4-chlorophenyl)-4-phenyl-1H-imidazol-2-yl]-1H-indole;3-[5-(4-chlorophenyl)-4-phenyl-1H-imidazol-2-yl]-2-methyl-1H-indole;3-[5-(3-iodophenyl)-4-(3-nitrophenyl)-1H-imidazol-2-yl]-2-methyl-1H-indole;2-methyl-3-[5-(4-nitrophenyl)-4-phenyl-1H-imidazol-2-yl]-1H-indole
CID 158315250

Frequently Asked Questions

What is the IUPAC name of bromomethane;1-bromo-4-[(E)-2-phenylethenyl]benzene;bis(1H-indole);4-iodo-2-nitroaniline;6-[(E)-2-phenylethenyl]-1H-benzimidazol-2-amine;5-[4-[(E)-2-phenylethenyl]phenyl]-1H-imidazol-2-amine;[(E)-prop-1-enyl]benzene?
The IUPAC name of bromomethane;1-bromo-4-[(E)-2-phenylethenyl]benzene;bis(1H-indole);4-iodo-2-nitroaniline;6-[(E)-2-phenylethenyl]-1H-benzimidazol-2-amine;5-[4-[(E)-2-phenylethenyl]phenyl]-1H-imidazol-2-amine;[(E)-prop-1-enyl]benzene (CID 158267085) is bromomethane;1-bromo-4-[(E)-2-phenylethenyl]benzene;bis(1H-indole);4-iodo-2-nitroaniline;6-[(E)-2-phenylethenyl]-1H-benzimidazol-2-amine;5-[4-[(E)-2-phenylethenyl]phenyl]-1H-imidazol-2-amine;[(E)-prop-1-enyl]benzene.
What is the SMILES notation for bromomethane;1-bromo-4-[(E)-2-phenylethenyl]benzene;bis(1H-indole);4-iodo-2-nitroaniline;6-[(E)-2-phenylethenyl]-1H-benzimidazol-2-amine;5-[4-[(E)-2-phenylethenyl]phenyl]-1H-imidazol-2-amine;[(E)-prop-1-enyl]benzene?
The canonical SMILES for bromomethane;1-bromo-4-[(E)-2-phenylethenyl]benzene;bis(1H-indole);4-iodo-2-nitroaniline;6-[(E)-2-phenylethenyl]-1H-benzimidazol-2-amine;5-[4-[(E)-2-phenylethenyl]phenyl]-1H-imidazol-2-amine;[(E)-prop-1-enyl]benzene is Brc1ccc(/C=C/c2ccccc2)cc1.C/C=C/c1ccccc1.CBr.Nc1ccc(I)cc1[N+](=O)[O-].Nc1nc2ccc(/C=C/c3ccccc3)cc2[nH]1.Nc1ncc(-c2ccc(/C=C/c3ccccc3)cc2)[nH]1.c1ccc2[nH]ccc2c1.c1ccc2[nH]ccc2c1.
What is the InChIKey of bromomethane;1-bromo-4-[(E)-2-phenylethenyl]benzene;bis(1H-indole);4-iodo-2-nitroaniline;6-[(E)-2-phenylethenyl]-1H-benzimidazol-2-amine;5-[4-[(E)-2-phenylethenyl]phenyl]-1H-imidazol-2-amine;[(E)-prop-1-enyl]benzene?
The InChIKey is GIOUKAGJAMMGIO-RJDVBAHASA-N. The full InChI is InChI=1S/C17H15N3.C15H13N3.C14H11Br.C9H10.2C8H7N.C6H5IN2O2.CH3Br/c18-17-19-12-16(20-17)15-10-8-14(9-11-15)7-6-13-4-2-1-3-5-13;16-15-17-13-9-8-12(10-14(13)18-15)7-6-11-4-2-1-3-5-11;15-14-10-8-13(9-11-14)7-6-12-4-2-1-3-5-12;1-2-6-9-7-4-3-5-8-9;2*1-2-4-8-7(3-1)5-6-9-8;7-4-1-2-5(8)6(3-4)9(10)11;1-2/h1-12H,(H3,18,19,20);1-10H,(H3,16,17,18);1-11H;2-8H,1H3;2*1-6,9H;1-3H,8H2;1H3/b3*7-6+;6-2+;;;;.
What are the key properties of bromomethane;1-bromo-4-[(E)-2-phenylethenyl]benzene;bis(1H-indole);4-iodo-2-nitroaniline;6-[(E)-2-phenylethenyl]-1H-benzimidazol-2-amine;5-[4-[(E)-2-phenylethenyl]phenyl]-1H-imidazol-2-amine;[(E)-prop-1-enyl]benzene?
bromomethane;1-bromo-4-[(E)-2-phenylethenyl]benzene;bis(1H-indole);4-iodo-2-nitroaniline;6-[(E)-2-phenylethenyl]-1H-benzimidazol-2-amine;5-[4-[(E)-2-phenylethenyl]phenyl]-1H-imidazol-2-amine;[(E)-prop-1-enyl]benzene has a molecular weight of 1467.21 g/mol, XLogP of 21.61, 9 rotatable bonds, 7 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for bromomethane;1-bromo-4-[(E)-2-phenylethenyl]benzene;bis(1H-indole);4-iodo-2-nitroaniline;6-[(E)-2-phenylethenyl]-1H-benzimidazol-2-amine;5-[4-[(E)-2-phenylethenyl]phenyl]-1H-imidazol-2-amine;[(E)-prop-1-enyl]benzene is sourced from PubChem (CID 158267085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).