1-cyclopropyl-2-(1-cyclopropylethyl)benzimidazole-5-carbonitrile

C16H17N3 — CID 83151476

IUPAC1-cyclopropyl-2-(1-cyclopropylethyl)benzimidazole-5-carbonitrile
SMILESCC(c1nc2cc(C#N)ccc2n1C1CC1)C1CC1
InChIInChI=1S/C16H17N3/c1-10(12-3-4-12)16-18-14-8-11(9-17)2-7-15(14)19(16)13-5-6-13/h2,7-8,10,12-13H,3-6H2,1H3
InChIKeyNGMLHUGNGCEQHM-UHFFFAOYSA-N
MW251.33 g/mol
LogP3.76
Rot. Bonds3

About 1-cyclopropyl-2-(1-cyclopropylethyl)benzimidazole-5-carbonitrile

1-cyclopropyl-2-(1-cyclopropylethyl)benzimidazole-5-carbonitrile (PubChem CID 83151476) has the molecular formula C16H17N3 and a molecular weight of 251.33 g/mol. Its IUPAC name is 1-cyclopropyl-2-(1-cyclopropylethyl)benzimidazole-5-carbonitrile.

Molecular Properties

Compound Name1-cyclopropyl-2-(1-cyclopropylethyl)benzimidazole-5-carbonitrile
PubChem CID83151476
Molecular FormulaC16H17N3
Molecular Weight251.33 g/mol
Exact Mass251.14
IUPAC Name1-cyclopropyl-2-(1-cyclopropylethyl)benzimidazole-5-carbonitrile
SMILESCC(c1nc2cc(C#N)ccc2n1C1CC1)C1CC1
InChIInChI=1S/C16H17N3/c1-10(12-3-4-12)16-18-14-8-11(9-17)2-7-15(14)19(16)13-5-6-13/h2,7-8,10,12-13H,3-6H2,1H3
InChIKeyNGMLHUGNGCEQHM-UHFFFAOYSA-N
XLogP3.76
TPSA41.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.33
LogP ≤ 53.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-cyclopropyl-2-[(1S)-1-hydroxyethyl]benzimidazole-5-carbonitrile
CID 66263871
1-cyclopropyl-2-methylbenzimidazole-5-carbonitrile
CID 28693642
1-cyclopropyl-2-(1,1,2,2-tetrafluoroethyl)benzimidazole-5-carbonitrile
CID 79659766
1-cyclopropyl-2-(3-methylphenyl)benzimidazole-5-carbonitrile
CID 65040414
1-cyclopropyl-2-(5-methylfuran-3-yl)benzimidazole-5-carbonitrile
CID 114823633
2-(1-chloroethyl)-3-(1-methylpiperidin-4-yl)benzimidazole-5-carbonitrile
CID 104715434
2-(1-chloroethyl)-3-(oxan-4-yl)benzimidazole-5-carbonitrile
CID 104715476
1-cyclopropyl-2-(4-methylthiophen-3-yl)benzimidazole-5-carbonitrile
CID 79808607
1-cyclopropyl-2-[(2-methylpropan-2-yl)oxymethyl]benzimidazole-5-carbonitrile
CID 115950372
1-cyclopropyl-2-hexylbenzimidazole-5-carbonitrile
CID 114754152
1-cyclopropyl-2-(propoxymethyl)benzimidazole-5-carbonitrile
CID 107941812
1-cyclopropyl-2-(2-methyloxolan-3-yl)benzimidazole-5-carbonitrile
CID 79756124

Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-2-(1-cyclopropylethyl)benzimidazole-5-carbonitrile?
The IUPAC name of 1-cyclopropyl-2-(1-cyclopropylethyl)benzimidazole-5-carbonitrile (CID 83151476) is 1-cyclopropyl-2-(1-cyclopropylethyl)benzimidazole-5-carbonitrile.
What is the SMILES notation for 1-cyclopropyl-2-(1-cyclopropylethyl)benzimidazole-5-carbonitrile?
The canonical SMILES for 1-cyclopropyl-2-(1-cyclopropylethyl)benzimidazole-5-carbonitrile is CC(c1nc2cc(C#N)ccc2n1C1CC1)C1CC1.
What is the InChIKey of 1-cyclopropyl-2-(1-cyclopropylethyl)benzimidazole-5-carbonitrile?
The InChIKey is NGMLHUGNGCEQHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3/c1-10(12-3-4-12)16-18-14-8-11(9-17)2-7-15(14)19(16)13-5-6-13/h2,7-8,10,12-13H,3-6H2,1H3.
What are the key properties of 1-cyclopropyl-2-(1-cyclopropylethyl)benzimidazole-5-carbonitrile?
1-cyclopropyl-2-(1-cyclopropylethyl)benzimidazole-5-carbonitrile has a molecular weight of 251.33 g/mol, XLogP of 3.76, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-2-(1-cyclopropylethyl)benzimidazole-5-carbonitrile is sourced from PubChem (CID 83151476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).