2-methyl-6-[(1-phenylbenzimidazol-5-yl)amino]pyrimidine-4-carbonitrile

C19H14N6 — CID 154795798

IUPAC2-methyl-6-[(1-phenylbenzimidazol-5-yl)amino]pyrimidine-4-carbonitrile
SMILESCc1nc(C#N)cc(Nc2ccc3c(c2)ncn3-c2ccccc2)n1
InChIInChI=1S/C19H14N6/c1-13-22-15(11-20)10-19(23-13)24-14-7-8-18-17(9-14)21-12-25(18)16-5-3-2-4-6-16/h2-10,12H,1H3,(H,22,23,24)
InChIKeyCPYJUZXRHXXTIM-UHFFFAOYSA-N
MW326.36 g/mol
LogP3.74
Rot. Bonds3

About 2-methyl-6-[(1-phenylbenzimidazol-5-yl)amino]pyrimidine-4-carbonitrile

2-methyl-6-[(1-phenylbenzimidazol-5-yl)amino]pyrimidine-4-carbonitrile (PubChem CID 154795798) has the molecular formula C19H14N6 and a molecular weight of 326.36 g/mol. Its IUPAC name is 2-methyl-6-[(1-phenylbenzimidazol-5-yl)amino]pyrimidine-4-carbonitrile.

Molecular Properties

Compound Name2-methyl-6-[(1-phenylbenzimidazol-5-yl)amino]pyrimidine-4-carbonitrile
PubChem CID154795798
Molecular FormulaC19H14N6
Molecular Weight326.36 g/mol
Exact Mass326.13
IUPAC Name2-methyl-6-[(1-phenylbenzimidazol-5-yl)amino]pyrimidine-4-carbonitrile
SMILESCc1nc(C#N)cc(Nc2ccc3c(c2)ncn3-c2ccccc2)n1
InChIInChI=1S/C19H14N6/c1-13-22-15(11-20)10-19(23-13)24-14-7-8-18-17(9-14)21-12-25(18)16-5-3-2-4-6-16/h2-10,12H,1H3,(H,22,23,24)
InChIKeyCPYJUZXRHXXTIM-UHFFFAOYSA-N
XLogP3.74
TPSA79.42 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.36
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3-nitro-2-[(1-phenylbenzimidazol-5-yl)amino]pyridine-4-carbonitrile
CID 133384862
6-[(2-methyl-1-phenylbenzimidazol-5-yl)amino]pyridine-3-carbonitrile
CID 18276652
1-phenylbenzimidazole-5,6-dicarbonitrile
CID 16762723
6-(3-ethyl-4-methoxyanilino)-2-methylpyrimidine-4-carbonitrile
CID 115143180
5-[(1,2-dimethylbenzimidazol-5-yl)amino]pyrazine-2-carbonitrile
CID 133484842
4-methyl-N-(1-phenylbenzimidazol-5-yl)-7-prop-2-ynoxyphthalazin-1-amine
CID 59372983
N-[1-(4-methoxyphenyl)benzimidazol-5-yl]-4-methylphthalazin-1-amine
CID 2887907
6-(2,3-dihydro-1-benzofuran-5-ylamino)-2-methylpyrimidine-4-carbonitrile
CID 115143207
4-(4-chlorophenyl)-N-(1-phenylbenzimidazol-5-yl)phthalazin-1-amine
CID 6407149
3-phenylimidazo[4,5-b]pyridine-5-carbonitrile
CID 167287119
5-nitro-2-N-(1-phenylbenzimidazol-5-yl)pyrimidine-2,4-diamine
CID 133384857
5-(2-methylphenyl)-1-phenylbenzimidazole
CID 144976138

Frequently Asked Questions

What is the IUPAC name of 2-methyl-6-[(1-phenylbenzimidazol-5-yl)amino]pyrimidine-4-carbonitrile?
The IUPAC name of 2-methyl-6-[(1-phenylbenzimidazol-5-yl)amino]pyrimidine-4-carbonitrile (CID 154795798) is 2-methyl-6-[(1-phenylbenzimidazol-5-yl)amino]pyrimidine-4-carbonitrile.
What is the SMILES notation for 2-methyl-6-[(1-phenylbenzimidazol-5-yl)amino]pyrimidine-4-carbonitrile?
The canonical SMILES for 2-methyl-6-[(1-phenylbenzimidazol-5-yl)amino]pyrimidine-4-carbonitrile is Cc1nc(C#N)cc(Nc2ccc3c(c2)ncn3-c2ccccc2)n1.
What is the InChIKey of 2-methyl-6-[(1-phenylbenzimidazol-5-yl)amino]pyrimidine-4-carbonitrile?
The InChIKey is CPYJUZXRHXXTIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14N6/c1-13-22-15(11-20)10-19(23-13)24-14-7-8-18-17(9-14)21-12-25(18)16-5-3-2-4-6-16/h2-10,12H,1H3,(H,22,23,24).
What are the key properties of 2-methyl-6-[(1-phenylbenzimidazol-5-yl)amino]pyrimidine-4-carbonitrile?
2-methyl-6-[(1-phenylbenzimidazol-5-yl)amino]pyrimidine-4-carbonitrile has a molecular weight of 326.36 g/mol, XLogP of 3.74, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-6-[(1-phenylbenzimidazol-5-yl)amino]pyrimidine-4-carbonitrile is sourced from PubChem (CID 154795798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).