2-bromoprop-1-ene;[1-[(Z)-but-2-enyl]benzimidazol-5-yl]methanol

C15H19BrN2O — CID 142946905

IUPAC2-bromoprop-1-ene;[1-[(Z)-but-2-enyl]benzimidazol-5-yl]methanol
SMILESC/C=C\Cn1cnc2cc(CO)ccc21.C=C(C)Br
InChIInChI=1S/C12H14N2O.C3H5Br/c1-2-3-6-14-9-13-11-7-10(8-15)4-5-12(11)14;1-3(2)4/h2-5,7,9,15H,6,8H2,1H3;1H2,2H3/b3-2-;
InChIKeyMTFBVFGEGVWFJN-OLGQORCHSA-N
MW323.23 g/mol
LogP4.02
Rot. Bonds3

About 2-bromoprop-1-ene;[1-[(Z)-but-2-enyl]benzimidazol-5-yl]methanol

2-bromoprop-1-ene;[1-[(Z)-but-2-enyl]benzimidazol-5-yl]methanol (PubChem CID 142946905) has the molecular formula C15H19BrN2O and a molecular weight of 323.23 g/mol. Its IUPAC name is 2-bromoprop-1-ene;[1-[(Z)-but-2-enyl]benzimidazol-5-yl]methanol.

Molecular Properties

Compound Name2-bromoprop-1-ene;[1-[(Z)-but-2-enyl]benzimidazol-5-yl]methanol
PubChem CID142946905
Molecular FormulaC15H19BrN2O
Molecular Weight323.23 g/mol
Exact Mass322.07
IUPAC Name2-bromoprop-1-ene;[1-[(Z)-but-2-enyl]benzimidazol-5-yl]methanol
SMILESC/C=C\Cn1cnc2cc(CO)ccc21.C=C(C)Br
InChIInChI=1S/C12H14N2O.C3H5Br/c1-2-3-6-14-9-13-11-7-10(8-15)4-5-12(11)14;1-3(2)4/h2-5,7,9,15H,6,8H2,1H3;1H2,2H3/b3-2-;
InChIKeyMTFBVFGEGVWFJN-OLGQORCHSA-N
XLogP4.02
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.23
LogP ≤ 54.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

[1-[(E)-but-2-enyl]indol-5-yl]methanol
CID 102912660
(1-propan-2-ylbenzimidazol-5-yl)methanol
CID 68642679
[1-(3-bromophenyl)benzimidazol-5-yl]methanol
CID 54564593
1-(1-ethylbenzimidazol-5-yl)-N-methylmethanamine
CID 82490893
5-(1-ethylbenzimidazol-5-yl)pentan-1-amine
CID 98783919
5-isocyano-1-prop-2-enylbenzimidazole
CID 140846077
1-[(E)-pent-3-enyl]benzimidazole
CID 135077117
2-(1-ethylbenzimidazol-5-yl)-N-methylethanamine
CID 82491787
4-(5,6-dimethylbenzimidazol-1-yl)but-2-en-1-amine
CID 77110646
2-(5-tert-butylbenzimidazol-1-yl)ethanol
CID 176701659
N-[3-[5-(hydroxymethyl)benzimidazol-1-yl]phenyl]prop-2-enamide
CID 141389788
4-(benzimidazol-1-yl)but-2-enoic acid
CID 76941121

Frequently Asked Questions

What is the IUPAC name of 2-bromoprop-1-ene;[1-[(Z)-but-2-enyl]benzimidazol-5-yl]methanol?
The IUPAC name of 2-bromoprop-1-ene;[1-[(Z)-but-2-enyl]benzimidazol-5-yl]methanol (CID 142946905) is 2-bromoprop-1-ene;[1-[(Z)-but-2-enyl]benzimidazol-5-yl]methanol.
What is the SMILES notation for 2-bromoprop-1-ene;[1-[(Z)-but-2-enyl]benzimidazol-5-yl]methanol?
The canonical SMILES for 2-bromoprop-1-ene;[1-[(Z)-but-2-enyl]benzimidazol-5-yl]methanol is C/C=C\Cn1cnc2cc(CO)ccc21.C=C(C)Br.
What is the InChIKey of 2-bromoprop-1-ene;[1-[(Z)-but-2-enyl]benzimidazol-5-yl]methanol?
The InChIKey is MTFBVFGEGVWFJN-OLGQORCHSA-N. The full InChI is InChI=1S/C12H14N2O.C3H5Br/c1-2-3-6-14-9-13-11-7-10(8-15)4-5-12(11)14;1-3(2)4/h2-5,7,9,15H,6,8H2,1H3;1H2,2H3/b3-2-;.
What are the key properties of 2-bromoprop-1-ene;[1-[(Z)-but-2-enyl]benzimidazol-5-yl]methanol?
2-bromoprop-1-ene;[1-[(Z)-but-2-enyl]benzimidazol-5-yl]methanol has a molecular weight of 323.23 g/mol, XLogP of 4.02, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromoprop-1-ene;[1-[(Z)-but-2-enyl]benzimidazol-5-yl]methanol is sourced from PubChem (CID 142946905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).