4-(1H-benzimidazol-2-yl)-3-methoxypyridine-2-carbonitrile

C14H10N4O — CID 90027902

IUPAC4-(1H-benzimidazol-2-yl)-3-methoxypyridine-2-carbonitrile
SMILESCOc1c(-c2nc3ccccc3[nH]2)ccnc1C#N
InChIInChI=1S/C14H10N4O/c1-19-13-9(6-7-16-12(13)8-15)14-17-10-4-2-3-5-11(10)18-14/h2-7H,1H3,(H,17,18)
InChIKeyLRPYVZLRLHBYFF-UHFFFAOYSA-N
MW250.26 g/mol
LogP2.51
Rot. Bonds2

About 4-(1H-benzimidazol-2-yl)-3-methoxypyridine-2-carbonitrile

4-(1H-benzimidazol-2-yl)-3-methoxypyridine-2-carbonitrile (PubChem CID 90027902) has the molecular formula C14H10N4O and a molecular weight of 250.26 g/mol. Its IUPAC name is 4-(1H-benzimidazol-2-yl)-3-methoxypyridine-2-carbonitrile.

Molecular Properties

Compound Name4-(1H-benzimidazol-2-yl)-3-methoxypyridine-2-carbonitrile
PubChem CID90027902
Molecular FormulaC14H10N4O
Molecular Weight250.26 g/mol
Exact Mass250.09
IUPAC Name4-(1H-benzimidazol-2-yl)-3-methoxypyridine-2-carbonitrile
SMILESCOc1c(-c2nc3ccccc3[nH]2)ccnc1C#N
InChIInChI=1S/C14H10N4O/c1-19-13-9(6-7-16-12(13)8-15)14-17-10-4-2-3-5-11(10)18-14/h2-7H,1H3,(H,17,18)
InChIKeyLRPYVZLRLHBYFF-UHFFFAOYSA-N
XLogP2.51
TPSA74.59 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.26
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-(1H-benzimidazol-2-yl)-3-methoxypyridine-2-carboxylic acid
CID 90027807
2-(3-methoxy-4-pyridinyl)-1H-benzimidazole
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1H-benzimidazole-2-carbonitrile
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2-(1H-benzimidazol-2-yl)-4-methoxyphenol
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3-(1H-benzimidazol-2-yl)-2-methoxy-N-methylbenzamide
CID 90027418
2-amino-6-(1H-benzimidazol-2-yl)-4-(4-methoxyphenyl)pyridine-3-carbonitrile
CID 73347759
2-(2-hexoxy-3-methoxyphenyl)-1H-benzimidazole
CID 168553618
5-(1H-benzimidazol-2-yl)-8-methylquinoline
CID 168554319
CID 161271779
CID 161271779
2-(3,5-dimethoxynaphthalen-2-yl)-1H-benzimidazole
CID 168555188
2-[2-[(2,6-dichlorophenyl)methoxy]-3-methoxyphenyl]-1H-benzimidazole
CID 168554744
CID 20700346
CID 20700346

Frequently Asked Questions

What is the IUPAC name of 4-(1H-benzimidazol-2-yl)-3-methoxypyridine-2-carbonitrile?
The IUPAC name of 4-(1H-benzimidazol-2-yl)-3-methoxypyridine-2-carbonitrile (CID 90027902) is 4-(1H-benzimidazol-2-yl)-3-methoxypyridine-2-carbonitrile.
What is the SMILES notation for 4-(1H-benzimidazol-2-yl)-3-methoxypyridine-2-carbonitrile?
The canonical SMILES for 4-(1H-benzimidazol-2-yl)-3-methoxypyridine-2-carbonitrile is COc1c(-c2nc3ccccc3[nH]2)ccnc1C#N.
What is the InChIKey of 4-(1H-benzimidazol-2-yl)-3-methoxypyridine-2-carbonitrile?
The InChIKey is LRPYVZLRLHBYFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10N4O/c1-19-13-9(6-7-16-12(13)8-15)14-17-10-4-2-3-5-11(10)18-14/h2-7H,1H3,(H,17,18).
What are the key properties of 4-(1H-benzimidazol-2-yl)-3-methoxypyridine-2-carbonitrile?
4-(1H-benzimidazol-2-yl)-3-methoxypyridine-2-carbonitrile has a molecular weight of 250.26 g/mol, XLogP of 2.51, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1H-benzimidazol-2-yl)-3-methoxypyridine-2-carbonitrile is sourced from PubChem (CID 90027902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).