2-(5-methoxy-1-methylbenzimidazol-2-yl)-3-(methylamino)imidazo[1,2-c]pyrimidine-7-carbonitrile

C17H15N7O — CID 170451674

IUPAC2-(5-methoxy-1-methylbenzimidazol-2-yl)-3-(methylamino)imidazo[1,2-c]pyrimidine-7-carbonitrile
SMILESCNc1c(-c2nc3cc(OC)ccc3n2C)nc2cc(C#N)ncn12
InChIInChI=1S/C17H15N7O/c1-19-16-15(22-14-6-10(8-18)20-9-24(14)16)17-21-12-7-11(25-3)4-5-13(12)23(17)2/h4-7,9,19H,1-3H3
InChIKeyMWMWVMNKHLNENT-UHFFFAOYSA-N
MW333.36 g/mol
LogP2.20
Rot. Bonds3

About 2-(5-methoxy-1-methylbenzimidazol-2-yl)-3-(methylamino)imidazo[1,2-c]pyrimidine-7-carbonitrile

2-(5-methoxy-1-methylbenzimidazol-2-yl)-3-(methylamino)imidazo[1,2-c]pyrimidine-7-carbonitrile (PubChem CID 170451674) has the molecular formula C17H15N7O and a molecular weight of 333.36 g/mol. Its IUPAC name is 2-(5-methoxy-1-methylbenzimidazol-2-yl)-3-(methylamino)imidazo[1,2-c]pyrimidine-7-carbonitrile.

Molecular Properties

Compound Name2-(5-methoxy-1-methylbenzimidazol-2-yl)-3-(methylamino)imidazo[1,2-c]pyrimidine-7-carbonitrile
PubChem CID170451674
Molecular FormulaC17H15N7O
Molecular Weight333.36 g/mol
Exact Mass333.13
IUPAC Name2-(5-methoxy-1-methylbenzimidazol-2-yl)-3-(methylamino)imidazo[1,2-c]pyrimidine-7-carbonitrile
SMILESCNc1c(-c2nc3cc(OC)ccc3n2C)nc2cc(C#N)ncn12
InChIInChI=1S/C17H15N7O/c1-19-16-15(22-14-6-10(8-18)20-9-24(14)16)17-21-12-7-11(25-3)4-5-13(12)23(17)2/h4-7,9,19H,1-3H3
InChIKeyMWMWVMNKHLNENT-UHFFFAOYSA-N
XLogP2.20
TPSA93.06 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.36
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

3-(5-methoxy-1-methylbenzimidazol-2-yl)benzene-1,2-diol
CID 136928305
2-(3-ethylsulfonyl-2-pyridinyl)-5-methoxy-1-methylbenzimidazole
CID 118581574
2-chloro-5-methoxy-1-methylbenzimidazole
CID 45078585
N,N-diethyl-4-(5-methoxy-1-methylbenzimidazol-2-yl)aniline
CID 146024291
2-(1H-imidazol-5-yl)-5-methoxy-1-methylbenzimidazole
CID 146024352
2-(3-ethoxy-4-methoxyphenyl)-5-methoxy-1-methylbenzimidazole
CID 146024274
4-(1-ethyl-5-methoxybenzimidazol-2-yl)-N-methylaniline
CID 104698565
9-methoxy-5-methylindolo[2,3-b]quinoxaline
CID 3983680
4-[1-methyl-2-(4-methylanilino)benzimidazol-5-yl]oxypyridine-2-carbonitrile
CID 70839088
2-ethoxy-4-(5-methoxy-1-methylbenzimidazol-2-yl)phenol
CID 146024273
2-(difluoromethyl)-5-methoxy-1-methylbenzimidazole
CID 145162362
5-methoxy-1-methyl-2-(6-methyl-1-azacyclohepta-1,2,4,6-tetraen-4-yl)benzimidazole
CID 123421729

Frequently Asked Questions

What is the IUPAC name of 2-(5-methoxy-1-methylbenzimidazol-2-yl)-3-(methylamino)imidazo[1,2-c]pyrimidine-7-carbonitrile?
The IUPAC name of 2-(5-methoxy-1-methylbenzimidazol-2-yl)-3-(methylamino)imidazo[1,2-c]pyrimidine-7-carbonitrile (CID 170451674) is 2-(5-methoxy-1-methylbenzimidazol-2-yl)-3-(methylamino)imidazo[1,2-c]pyrimidine-7-carbonitrile.
What is the SMILES notation for 2-(5-methoxy-1-methylbenzimidazol-2-yl)-3-(methylamino)imidazo[1,2-c]pyrimidine-7-carbonitrile?
The canonical SMILES for 2-(5-methoxy-1-methylbenzimidazol-2-yl)-3-(methylamino)imidazo[1,2-c]pyrimidine-7-carbonitrile is CNc1c(-c2nc3cc(OC)ccc3n2C)nc2cc(C#N)ncn12.
What is the InChIKey of 2-(5-methoxy-1-methylbenzimidazol-2-yl)-3-(methylamino)imidazo[1,2-c]pyrimidine-7-carbonitrile?
The InChIKey is MWMWVMNKHLNENT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15N7O/c1-19-16-15(22-14-6-10(8-18)20-9-24(14)16)17-21-12-7-11(25-3)4-5-13(12)23(17)2/h4-7,9,19H,1-3H3.
What are the key properties of 2-(5-methoxy-1-methylbenzimidazol-2-yl)-3-(methylamino)imidazo[1,2-c]pyrimidine-7-carbonitrile?
2-(5-methoxy-1-methylbenzimidazol-2-yl)-3-(methylamino)imidazo[1,2-c]pyrimidine-7-carbonitrile has a molecular weight of 333.36 g/mol, XLogP of 2.20, 3 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-methoxy-1-methylbenzimidazol-2-yl)-3-(methylamino)imidazo[1,2-c]pyrimidine-7-carbonitrile is sourced from PubChem (CID 170451674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).