2-chloro-1H-benzimidazole;1-chloro-4-(chloromethyl)benzene;1-[(4-chlorophenyl)methyl]-N-[(3,4-dichlorophenyl)methyl]benzimidazol-2-amine;(3,4-dichlorophenyl)methanamine;N-[(3,4-dichlorophenyl)methyl]-1H-benzimidazol-2-amine;methane

C57H49Cl10N9 — CID 158127215

IUPAC2-chloro-1H-benzimidazole;1-chloro-4-(chloromethyl)benzene;1-[(4-chlorophenyl)methyl]-N-[(3,4-dichlorophenyl)methyl]benzimidazol-2-amine;(3,4-dichlorophenyl)methanamine;N-[(3,4-dichlorophenyl)methyl]-1H-benzimidazol-2-amine;methane
SMILESC.ClCc1ccc(Cl)cc1.Clc1ccc(CNc2nc3ccccc3[nH]2)cc1Cl.Clc1ccc(Cn2c(NCc3ccc(Cl)c(Cl)c3)nc3ccccc32)cc1.Clc1nc2ccccc2[nH]1.NCc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C21H16Cl3N3.C14H11Cl2N3.C7H7Cl2N.C7H6Cl2.C7H5ClN2.CH4/c22-16-8-5-14(6-9-16)13-27-20-4-2-1-3-19(20)26-21(27)25-12-15-7-10-17(23)18(24)11-15;15-10-6-5-9(7-11(10)16)8-17-14-18-12-3-1-2-4-13(12)19-14;8-6-2-1-5(4-10)3-7(6)9;8-5-6-1-3-7(9)4-2-6;8-7-9-5-3-1-2-4-6(5)10-7;/h1-11H,12-13H2,(H,25,26);1-7H,8H2,(H2,17,18,19);1-3H,4,10H2;1-4H,5H2;1-4H,(H,9,10);1H4
InChIKeyFSIHVEDXXIOEIT-UHFFFAOYSA-N
MW1214.61 g/mol
LogP19.52
Rot. Bonds10

About 2-chloro-1H-benzimidazole;1-chloro-4-(chloromethyl)benzene;1-[(4-chlorophenyl)methyl]-N-[(3,4-dichlorophenyl)methyl]benzimidazol-2-amine;(3,4-dichlorophenyl)methanamine;N-[(3,4-dichlorophenyl)methyl]-1H-benzimidazol-2-amine;methane

2-chloro-1H-benzimidazole;1-chloro-4-(chloromethyl)benzene;1-[(4-chlorophenyl)methyl]-N-[(3,4-dichlorophenyl)methyl]benzimidazol-2-amine;(3,4-dichlorophenyl)methanamine;N-[(3,4-dichlorophenyl)methyl]-1H-benzimidazol-2-amine;methane (PubChem CID 158127215) has the molecular formula C57H49Cl10N9 and a molecular weight of 1214.61 g/mol. Its IUPAC name is 2-chloro-1H-benzimidazole;1-chloro-4-(chloromethyl)benzene;1-[(4-chlorophenyl)methyl]-N-[(3,4-dichlorophenyl)methyl]benzimidazol-2-amine;(3,4-dichlorophenyl)methanamine;N-[(3,4-dichlorophenyl)methyl]-1H-benzimidazol-2-amine;methane.

Molecular Properties

Compound Name2-chloro-1H-benzimidazole;1-chloro-4-(chloromethyl)benzene;1-[(4-chlorophenyl)methyl]-N-[(3,4-dichlorophenyl)methyl]benzimidazol-2-amine;(3,4-dichlorophenyl)methanamine;N-[(3,4-dichlorophenyl)methyl]-1H-benzimidazol-2-amine;methane
PubChem CID158127215
Molecular FormulaC57H49Cl10N9
Molecular Weight1214.61 g/mol
Exact Mass1209.10
IUPAC Name2-chloro-1H-benzimidazole;1-chloro-4-(chloromethyl)benzene;1-[(4-chlorophenyl)methyl]-N-[(3,4-dichlorophenyl)methyl]benzimidazol-2-amine;(3,4-dichlorophenyl)methanamine;N-[(3,4-dichlorophenyl)methyl]-1H-benzimidazol-2-amine;methane
SMILESC.ClCc1ccc(Cl)cc1.Clc1ccc(CNc2nc3ccccc3[nH]2)cc1Cl.Clc1ccc(Cn2c(NCc3ccc(Cl)c(Cl)c3)nc3ccccc32)cc1.Clc1nc2ccccc2[nH]1.NCc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C21H16Cl3N3.C14H11Cl2N3.C7H7Cl2N.C7H6Cl2.C7H5ClN2.CH4/c22-16-8-5-14(6-9-16)13-27-20-4-2-1-3-19(20)26-21(27)25-12-15-7-10-17(23)18(24)11-15;15-10-6-5-9(7-11(10)16)8-17-14-18-12-3-1-2-4-13(12)19-14;8-6-2-1-5(4-10)3-7(6)9;8-5-6-1-3-7(9)4-2-6;8-7-9-5-3-1-2-4-6(5)10-7;/h1-11H,12-13H2,(H,25,26);1-7H,8H2,(H2,17,18,19);1-3H,4,10H2;1-4H,5H2;1-4H,(H,9,10);1H4
InChIKeyFSIHVEDXXIOEIT-UHFFFAOYSA-N
XLogP19.52
TPSA125.26 Ų
H-Bond Donors5
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms76
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001214.61
LogP ≤ 519.52
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

Analyze 2-chloro-1H-benzimidazole;1-chloro-4-(chloromethyl)benzene;1-[(4-chlorophenyl)methyl]-N-[(3,4-dichlorophenyl)methyl]benzimidazol-2-amine;(3,4-dichlorophenyl)methanamine;N-[(3,4-dichlorophenyl)methyl]-1H-benzimidazol-2-amine;methane with MolForge

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Related Compounds

1-[1-(1H-benzimidazol-2-yl)-2,2-dimethylpropyl]-2-(3,5-dichlorophenyl)benzimidazole
CID 53382922
N-(1H-benzimidazol-2-ylmethyl)-N-[(3,4-dichlorophenyl)methyl]-2-fluoroaniline
CID 71494577
N-(1H-benzimidazol-2-ylmethyl)-N-[(3,4-dichlorophenyl)methyl]-4-methylaniline
CID 71494731
1-[(3,4-dichlorophenyl)methyl]-N-[2-[4-[[1-[(4-fluorophenyl)methyl]-1H-benzimidazol-2-yl]amino]1-piperidinyl]ethyl]-1H-benzimidazol-2-amine
CID 13769707
N-((1-(3,4-dichlorobenzyl)-1h-benzo[d]imidazol-2-yl)-methyl)-4-methylaniline
CID 129823264
3-(2-aminobenzimidazol-1-yl)-N'-(1H-benzimidazol-2-yl)-3-(4-chlorophenyl)propanimidamide
CID 11553734
N-(1H-benzimidazol-2-yl)-4-(4-chlorophenyl)-3,4-dihydropyrimido[1,2-a]benzimidazol-2-amine
CID 11704309
1-(4-chlorobenzyl)-N-(3,4-dichlorobenzyl)-1H-benzimidazol-2-amine
CID 3291239
N-[[1-[(3,4-dichlorophenyl)methyl]piperidin-4-yl]methyl]-1-ethylbenzimidazol-2-amine
CID 10173252
(1H-benzoimidazol-2-yl)-[1-(3,4-dichloro-benzyl)-piperidin-4-ylmethyl]-amine
CID 10215999
N,1-bis[(3,4-dichlorophenyl)methyl]benzimidazol-2-amine
CID 11597598
2-[1-[(3,4-dichlorophenyl)methyl]-3,6-dihydro-2H-pyridin-4-yl]-1H-benzimidazole
CID 22100967

Frequently Asked Questions

What is the IUPAC name of 2-chloro-1H-benzimidazole;1-chloro-4-(chloromethyl)benzene;1-[(4-chlorophenyl)methyl]-N-[(3,4-dichlorophenyl)methyl]benzimidazol-2-amine;(3,4-dichlorophenyl)methanamine;N-[(3,4-dichlorophenyl)methyl]-1H-benzimidazol-2-amine;methane?
The IUPAC name of 2-chloro-1H-benzimidazole;1-chloro-4-(chloromethyl)benzene;1-[(4-chlorophenyl)methyl]-N-[(3,4-dichlorophenyl)methyl]benzimidazol-2-amine;(3,4-dichlorophenyl)methanamine;N-[(3,4-dichlorophenyl)methyl]-1H-benzimidazol-2-amine;methane (CID 158127215) is 2-chloro-1H-benzimidazole;1-chloro-4-(chloromethyl)benzene;1-[(4-chlorophenyl)methyl]-N-[(3,4-dichlorophenyl)methyl]benzimidazol-2-amine;(3,4-dichlorophenyl)methanamine;N-[(3,4-dichlorophenyl)methyl]-1H-benzimidazol-2-amine;methane.
What is the SMILES notation for 2-chloro-1H-benzimidazole;1-chloro-4-(chloromethyl)benzene;1-[(4-chlorophenyl)methyl]-N-[(3,4-dichlorophenyl)methyl]benzimidazol-2-amine;(3,4-dichlorophenyl)methanamine;N-[(3,4-dichlorophenyl)methyl]-1H-benzimidazol-2-amine;methane?
The canonical SMILES for 2-chloro-1H-benzimidazole;1-chloro-4-(chloromethyl)benzene;1-[(4-chlorophenyl)methyl]-N-[(3,4-dichlorophenyl)methyl]benzimidazol-2-amine;(3,4-dichlorophenyl)methanamine;N-[(3,4-dichlorophenyl)methyl]-1H-benzimidazol-2-amine;methane is C.ClCc1ccc(Cl)cc1.Clc1ccc(CNc2nc3ccccc3[nH]2)cc1Cl.Clc1ccc(Cn2c(NCc3ccc(Cl)c(Cl)c3)nc3ccccc32)cc1.Clc1nc2ccccc2[nH]1.NCc1ccc(Cl)c(Cl)c1.
What is the InChIKey of 2-chloro-1H-benzimidazole;1-chloro-4-(chloromethyl)benzene;1-[(4-chlorophenyl)methyl]-N-[(3,4-dichlorophenyl)methyl]benzimidazol-2-amine;(3,4-dichlorophenyl)methanamine;N-[(3,4-dichlorophenyl)methyl]-1H-benzimidazol-2-amine;methane?
The InChIKey is FSIHVEDXXIOEIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16Cl3N3.C14H11Cl2N3.C7H7Cl2N.C7H6Cl2.C7H5ClN2.CH4/c22-16-8-5-14(6-9-16)13-27-20-4-2-1-3-19(20)26-21(27)25-12-15-7-10-17(23)18(24)11-15;15-10-6-5-9(7-11(10)16)8-17-14-18-12-3-1-2-4-13(12)19-14;8-6-2-1-5(4-10)3-7(6)9;8-5-6-1-3-7(9)4-2-6;8-7-9-5-3-1-2-4-6(5)10-7;/h1-11H,12-13H2,(H,25,26);1-7H,8H2,(H2,17,18,19);1-3H,4,10H2;1-4H,5H2;1-4H,(H,9,10);1H4.
What are the key properties of 2-chloro-1H-benzimidazole;1-chloro-4-(chloromethyl)benzene;1-[(4-chlorophenyl)methyl]-N-[(3,4-dichlorophenyl)methyl]benzimidazol-2-amine;(3,4-dichlorophenyl)methanamine;N-[(3,4-dichlorophenyl)methyl]-1H-benzimidazol-2-amine;methane?
2-chloro-1H-benzimidazole;1-chloro-4-(chloromethyl)benzene;1-[(4-chlorophenyl)methyl]-N-[(3,4-dichlorophenyl)methyl]benzimidazol-2-amine;(3,4-dichlorophenyl)methanamine;N-[(3,4-dichlorophenyl)methyl]-1H-benzimidazol-2-amine;methane has a molecular weight of 1214.61 g/mol, XLogP of 19.52, 10 rotatable bonds, 5 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-1H-benzimidazole;1-chloro-4-(chloromethyl)benzene;1-[(4-chlorophenyl)methyl]-N-[(3,4-dichlorophenyl)methyl]benzimidazol-2-amine;(3,4-dichlorophenyl)methanamine;N-[(3,4-dichlorophenyl)methyl]-1H-benzimidazol-2-amine;methane is sourced from PubChem (CID 158127215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).