2-[2-[(dimethylamino)methyl]-5-methoxybenzimidazol-1-yl]acetonitrile

C13H16N4O — CID 82311201

IUPAC2-[2-[(dimethylamino)methyl]-5-methoxybenzimidazol-1-yl]acetonitrile
SMILESCOc1ccc2c(c1)nc(CN(C)C)n2CC#N
InChIInChI=1S/C13H16N4O/c1-16(2)9-13-15-11-8-10(18-3)4-5-12(11)17(13)7-6-14/h4-5,8H,7,9H2,1-3H3
InChIKeyCCCTZEOXONHQPZ-UHFFFAOYSA-N
MW244.30 g/mol
LogP1.63
Rot. Bonds4

About 2-[2-[(dimethylamino)methyl]-5-methoxybenzimidazol-1-yl]acetonitrile

2-[2-[(dimethylamino)methyl]-5-methoxybenzimidazol-1-yl]acetonitrile (PubChem CID 82311201) has the molecular formula C13H16N4O and a molecular weight of 244.30 g/mol. Its IUPAC name is 2-[2-[(dimethylamino)methyl]-5-methoxybenzimidazol-1-yl]acetonitrile.

Molecular Properties

Compound Name2-[2-[(dimethylamino)methyl]-5-methoxybenzimidazol-1-yl]acetonitrile
PubChem CID82311201
Molecular FormulaC13H16N4O
Molecular Weight244.30 g/mol
Exact Mass244.13
IUPAC Name2-[2-[(dimethylamino)methyl]-5-methoxybenzimidazol-1-yl]acetonitrile
SMILESCOc1ccc2c(c1)nc(CN(C)C)n2CC#N
InChIInChI=1S/C13H16N4O/c1-16(2)9-13-15-11-8-10(18-3)4-5-12(11)17(13)7-6-14/h4-5,8H,7,9H2,1-3H3
InChIKeyCCCTZEOXONHQPZ-UHFFFAOYSA-N
XLogP1.63
TPSA54.08 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.30
LogP ≤ 51.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

3-[2-(diethylaminomethyl)-5-methoxybenzimidazol-1-yl]propanenitrile
CID 82311542
2-[2-[1-(dimethylamino)propyl]-5-methoxybenzimidazol-1-yl]acetonitrile
CID 82311242
2-[5-chloro-2-(diethylaminomethyl)benzimidazol-1-yl]acetonitrile
CID 82311164
2-[2-[[2-hydroxyethyl(methyl)amino]methyl]-5-methoxybenzimidazol-1-yl]ethanol
CID 82311690
2-[5-methoxy-1-(3-methylbutyl)benzimidazol-2-yl]acetonitrile
CID 82334510
2-[2-(diethylaminomethyl)-5-ethylbenzimidazol-1-yl]acetonitrile
CID 82311189
2-[2-[(dipropylamino)methyl]-5-methylbenzimidazol-1-yl]acetonitrile
CID 82311169
N-[(1-butyl-5-methoxybenzimidazol-2-yl)methyl]-N-methylbutan-1-amine
CID 134084130
3-(5-methoxy-1-prop-2-ynylbenzimidazol-2-yl)propan-1-amine
CID 82334293
(1-ethyl-5-methoxybenzimidazol-2-yl)methanamine
CID 80503172
3-(5-methoxy-1-prop-2-ynylbenzimidazol-2-yl)propanoic acid
CID 82334272
2-[[1-(3-aminopropyl)-5-methoxybenzimidazol-2-yl]methyl-methylamino]ethanol
CID 82310791

Frequently Asked Questions

What is the IUPAC name of 2-[2-[(dimethylamino)methyl]-5-methoxybenzimidazol-1-yl]acetonitrile?
The IUPAC name of 2-[2-[(dimethylamino)methyl]-5-methoxybenzimidazol-1-yl]acetonitrile (CID 82311201) is 2-[2-[(dimethylamino)methyl]-5-methoxybenzimidazol-1-yl]acetonitrile.
What is the SMILES notation for 2-[2-[(dimethylamino)methyl]-5-methoxybenzimidazol-1-yl]acetonitrile?
The canonical SMILES for 2-[2-[(dimethylamino)methyl]-5-methoxybenzimidazol-1-yl]acetonitrile is COc1ccc2c(c1)nc(CN(C)C)n2CC#N.
What is the InChIKey of 2-[2-[(dimethylamino)methyl]-5-methoxybenzimidazol-1-yl]acetonitrile?
The InChIKey is CCCTZEOXONHQPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N4O/c1-16(2)9-13-15-11-8-10(18-3)4-5-12(11)17(13)7-6-14/h4-5,8H,7,9H2,1-3H3.
What are the key properties of 2-[2-[(dimethylamino)methyl]-5-methoxybenzimidazol-1-yl]acetonitrile?
2-[2-[(dimethylamino)methyl]-5-methoxybenzimidazol-1-yl]acetonitrile has a molecular weight of 244.30 g/mol, XLogP of 1.63, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(dimethylamino)methyl]-5-methoxybenzimidazol-1-yl]acetonitrile is sourced from PubChem (CID 82311201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).