6-[(2-methyl-1-phenylbenzimidazol-5-yl)amino]pyridine-3-carbonitrile

C20H15N5 — CID 18276652

IUPAC6-[(2-methyl-1-phenylbenzimidazol-5-yl)amino]pyridine-3-carbonitrile
SMILESCc1nc2cc(Nc3ccc(C#N)cn3)ccc2n1-c1ccccc1
InChIInChI=1S/C20H15N5/c1-14-23-18-11-16(24-20-10-7-15(12-21)13-22-20)8-9-19(18)25(14)17-5-3-2-4-6-17/h2-11,13H,1H3,(H,22,24)
InChIKeyYPMPSAYGJOBKCZ-UHFFFAOYSA-N
MW325.38 g/mol
LogP4.34
Rot. Bonds3

About 6-[(2-methyl-1-phenylbenzimidazol-5-yl)amino]pyridine-3-carbonitrile

6-[(2-methyl-1-phenylbenzimidazol-5-yl)amino]pyridine-3-carbonitrile (PubChem CID 18276652) has the molecular formula C20H15N5 and a molecular weight of 325.38 g/mol. Its IUPAC name is 6-[(2-methyl-1-phenylbenzimidazol-5-yl)amino]pyridine-3-carbonitrile.

Molecular Properties

Compound Name6-[(2-methyl-1-phenylbenzimidazol-5-yl)amino]pyridine-3-carbonitrile
PubChem CID18276652
Molecular FormulaC20H15N5
Molecular Weight325.38 g/mol
Exact Mass325.13
IUPAC Name6-[(2-methyl-1-phenylbenzimidazol-5-yl)amino]pyridine-3-carbonitrile
SMILESCc1nc2cc(Nc3ccc(C#N)cn3)ccc2n1-c1ccccc1
InChIInChI=1S/C20H15N5/c1-14-23-18-11-16(24-20-10-7-15(12-21)13-22-20)8-9-19(18)25(14)17-5-3-2-4-6-17/h2-11,13H,1H3,(H,22,24)
InChIKeyYPMPSAYGJOBKCZ-UHFFFAOYSA-N
XLogP4.34
TPSA66.53 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.38
LogP ≤ 54.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2-methyl-1-phenylbenzimidazol-5-yl)formamide
CID 56696508
N-(2-methyl-1-phenylbenzimidazol-5-yl)-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-amine
CID 24605068
6-(quinolin-6-ylamino)pyridine-3-carbonitrile
CID 62634612
6-[(2-methyl-1,3-benzothiazol-6-yl)amino]pyridine-3-carbonitrile
CID 47150241
5-[(1,2-dimethylbenzimidazol-5-yl)amino]pyrazine-2-carbonitrile
CID 133484842
N-(2-methyl-1-phenylbenzimidazol-5-yl)benzenesulfonamide
CID 2474403
2-methyl-6-[(1-phenylbenzimidazol-5-yl)amino]pyrimidine-4-carbonitrile
CID 154795798
6-[(6-methoxy-3-pyridinyl)amino]pyridine-3-carbonitrile
CID 24691649
N-(2-methyl-1-phenylbenzimidazol-5-yl)-4-nitrobenzamide
CID 5011969
6-(3,4,5-trifluoroanilino)pyridine-3-carbonitrile
CID 55119031
6-(pyridin-3-ylamino)pyridine-3-carbonitrile
CID 24690625
N-(2-methyl-1-phenylbenzimidazol-5-yl)-3-[(R)-methylsulfinyl]propanamide
CID 97329327

Frequently Asked Questions

What is the IUPAC name of 6-[(2-methyl-1-phenylbenzimidazol-5-yl)amino]pyridine-3-carbonitrile?
The IUPAC name of 6-[(2-methyl-1-phenylbenzimidazol-5-yl)amino]pyridine-3-carbonitrile (CID 18276652) is 6-[(2-methyl-1-phenylbenzimidazol-5-yl)amino]pyridine-3-carbonitrile.
What is the SMILES notation for 6-[(2-methyl-1-phenylbenzimidazol-5-yl)amino]pyridine-3-carbonitrile?
The canonical SMILES for 6-[(2-methyl-1-phenylbenzimidazol-5-yl)amino]pyridine-3-carbonitrile is Cc1nc2cc(Nc3ccc(C#N)cn3)ccc2n1-c1ccccc1.
What is the InChIKey of 6-[(2-methyl-1-phenylbenzimidazol-5-yl)amino]pyridine-3-carbonitrile?
The InChIKey is YPMPSAYGJOBKCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15N5/c1-14-23-18-11-16(24-20-10-7-15(12-21)13-22-20)8-9-19(18)25(14)17-5-3-2-4-6-17/h2-11,13H,1H3,(H,22,24).
What are the key properties of 6-[(2-methyl-1-phenylbenzimidazol-5-yl)amino]pyridine-3-carbonitrile?
6-[(2-methyl-1-phenylbenzimidazol-5-yl)amino]pyridine-3-carbonitrile has a molecular weight of 325.38 g/mol, XLogP of 4.34, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(2-methyl-1-phenylbenzimidazol-5-yl)amino]pyridine-3-carbonitrile is sourced from PubChem (CID 18276652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).