N-[(6-chloro-1,7-dimethylbenzimidazol-2-yl)methyl]-2-methylpropan-1-amine

C14H20ClN3 — CID 112741115

IUPACN-[(6-chloro-1,7-dimethylbenzimidazol-2-yl)methyl]-2-methylpropan-1-amine
SMILESCc1c(Cl)ccc2nc(CNCC(C)C)n(C)c12
InChIInChI=1S/C14H20ClN3/c1-9(2)7-16-8-13-17-12-6-5-11(15)10(3)14(12)18(13)4/h5-6,9,16H,7-8H2,1-4H3
InChIKeyVCGDGBWVHDEZOO-UHFFFAOYSA-N
MW265.79 g/mol
LogP3.28
Rot. Bonds4

About N-[(6-chloro-1,7-dimethylbenzimidazol-2-yl)methyl]-2-methylpropan-1-amine

N-[(6-chloro-1,7-dimethylbenzimidazol-2-yl)methyl]-2-methylpropan-1-amine (PubChem CID 112741115) has the molecular formula C14H20ClN3 and a molecular weight of 265.79 g/mol. Its IUPAC name is N-[(6-chloro-1,7-dimethylbenzimidazol-2-yl)methyl]-2-methylpropan-1-amine.

Molecular Properties

Compound NameN-[(6-chloro-1,7-dimethylbenzimidazol-2-yl)methyl]-2-methylpropan-1-amine
PubChem CID112741115
Molecular FormulaC14H20ClN3
Molecular Weight265.79 g/mol
Exact Mass265.13
IUPAC NameN-[(6-chloro-1,7-dimethylbenzimidazol-2-yl)methyl]-2-methylpropan-1-amine
SMILESCc1c(Cl)ccc2nc(CNCC(C)C)n(C)c12
InChIInChI=1S/C14H20ClN3/c1-9(2)7-16-8-13-17-12-6-5-11(15)10(3)14(12)18(13)4/h5-6,9,16H,7-8H2,1-4H3
InChIKeyVCGDGBWVHDEZOO-UHFFFAOYSA-N
XLogP3.28
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.79
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(6-chloro-1,7-dimethylbenzimidazol-2-yl)-2,2-dimethylpropanoic acid
CID 84642739
N-[(6-chloro-1-propylbenzimidazol-2-yl)methyl]-2-methylpropan-1-amine
CID 115472958
N-[(4-fluoro-1-methylbenzimidazol-2-yl)methyl]-2-methylpropan-1-amine
CID 63065892
N-[(1,7-dimethylbenzimidazol-2-yl)methyl]ethanamine
CID 81455738
6-chloro-2-(2-chloroethyl)-1-(2-methoxypropyl)-7-methylbenzimidazole
CID 112741117
N-methyl-2-(1,6,7-trimethylbenzimidazol-2-yl)ethanamine
CID 84622679
2-methoxy-N-[(1-methylbenzimidazol-2-yl)methyl]propan-1-amine
CID 102696777
N-[(3-chloro-6-pyrrolidin-1-yl-2-pyridinyl)methyl]-2-methylpropan-1-amine
CID 55054651
(E)-3-(6-chloro-1,7-dimethylbenzimidazol-2-yl)prop-2-enoic acid
CID 84634044
N-[(4,7-dichloro-3-methyl-1-benzothiophen-2-yl)methyl]-2-methylpropan-1-amine
CID 81049478
N-[[6-(4-chloro-3-methylphenoxy)-2-pyridinyl]methyl]-2-methylpropan-1-amine
CID 62296527
7-chloro-2-(chloromethyl)-1-(3-methylbutyl)benzimidazole
CID 43659958

Frequently Asked Questions

What is the IUPAC name of N-[(6-chloro-1,7-dimethylbenzimidazol-2-yl)methyl]-2-methylpropan-1-amine?
The IUPAC name of N-[(6-chloro-1,7-dimethylbenzimidazol-2-yl)methyl]-2-methylpropan-1-amine (CID 112741115) is N-[(6-chloro-1,7-dimethylbenzimidazol-2-yl)methyl]-2-methylpropan-1-amine.
What is the SMILES notation for N-[(6-chloro-1,7-dimethylbenzimidazol-2-yl)methyl]-2-methylpropan-1-amine?
The canonical SMILES for N-[(6-chloro-1,7-dimethylbenzimidazol-2-yl)methyl]-2-methylpropan-1-amine is Cc1c(Cl)ccc2nc(CNCC(C)C)n(C)c12.
What is the InChIKey of N-[(6-chloro-1,7-dimethylbenzimidazol-2-yl)methyl]-2-methylpropan-1-amine?
The InChIKey is VCGDGBWVHDEZOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20ClN3/c1-9(2)7-16-8-13-17-12-6-5-11(15)10(3)14(12)18(13)4/h5-6,9,16H,7-8H2,1-4H3.
What are the key properties of N-[(6-chloro-1,7-dimethylbenzimidazol-2-yl)methyl]-2-methylpropan-1-amine?
N-[(6-chloro-1,7-dimethylbenzimidazol-2-yl)methyl]-2-methylpropan-1-amine has a molecular weight of 265.79 g/mol, XLogP of 3.28, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(6-chloro-1,7-dimethylbenzimidazol-2-yl)methyl]-2-methylpropan-1-amine is sourced from PubChem (CID 112741115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).