3-(2-propylbenzimidazol-1-yl)propanenitrile

C13H15N3 — CID 15259068

IUPAC3-(2-propylbenzimidazol-1-yl)propanenitrile
SMILESCCCc1nc2ccccc2n1CCC#N
InChIInChI=1S/C13H15N3/c1-2-6-13-15-11-7-3-4-8-12(11)16(13)10-5-9-14/h3-4,7-8H,2,5-6,10H2,1H3
InChIKeyBLDQLAHJWOKHMA-UHFFFAOYSA-N
MW213.28 g/mol
LogP2.90
Rot. Bonds4

About 3-(2-propylbenzimidazol-1-yl)propanenitrile

3-(2-propylbenzimidazol-1-yl)propanenitrile (PubChem CID 15259068) has the molecular formula C13H15N3 and a molecular weight of 213.28 g/mol. Its IUPAC name is 3-(2-propylbenzimidazol-1-yl)propanenitrile.

Molecular Properties

Compound Name3-(2-propylbenzimidazol-1-yl)propanenitrile
PubChem CID15259068
Molecular FormulaC13H15N3
Molecular Weight213.28 g/mol
Exact Mass213.13
IUPAC Name3-(2-propylbenzimidazol-1-yl)propanenitrile
SMILESCCCc1nc2ccccc2n1CCC#N
InChIInChI=1S/C13H15N3/c1-2-6-13-15-11-7-3-4-8-12(11)16(13)10-5-9-14/h3-4,7-8H,2,5-6,10H2,1H3
InChIKeyBLDQLAHJWOKHMA-UHFFFAOYSA-N
XLogP2.90
TPSA41.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.28
LogP ≤ 52.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-(2-nonylbenzimidazol-1-yl)propanenitrile
CID 3414189
1-pent-4-ynyl-2-propylbenzimidazole
CID 113374435
1-(3-methylbut-3-enyl)-2-propylbenzimidazole
CID 114476798
2-[1-(2-cyanoethyl)benzimidazol-2-yl]acetate
CID 171983807
3-[2-[(4-methoxyphenyl)methyl]benzimidazol-1-yl]propanenitrile
CID 82144754
2-heptyl-1-nonylbenzimidazole
CID 139787766
2-nonyl-1-undecylbenzimidazole
CID 139787757
2-amino-2-ethyl-5-(2-propylbenzimidazol-1-yl)pentanenitrile
CID 106804293
2-decyl-1-pentylbenzimidazole;hydrochloride
CID 71902549
1-(3-ethylsulfonylpropyl)-2-propylbenzimidazole
CID 116626944
2-propyl-1-[2-(trifluoromethylsulfanyl)ethyl]benzimidazole
CID 116626955
1-benzyl-2-propylbenzimidazole
CID 764560

Frequently Asked Questions

What is the IUPAC name of 3-(2-propylbenzimidazol-1-yl)propanenitrile?
The IUPAC name of 3-(2-propylbenzimidazol-1-yl)propanenitrile (CID 15259068) is 3-(2-propylbenzimidazol-1-yl)propanenitrile.
What is the SMILES notation for 3-(2-propylbenzimidazol-1-yl)propanenitrile?
The canonical SMILES for 3-(2-propylbenzimidazol-1-yl)propanenitrile is CCCc1nc2ccccc2n1CCC#N.
What is the InChIKey of 3-(2-propylbenzimidazol-1-yl)propanenitrile?
The InChIKey is BLDQLAHJWOKHMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3/c1-2-6-13-15-11-7-3-4-8-12(11)16(13)10-5-9-14/h3-4,7-8H,2,5-6,10H2,1H3.
What are the key properties of 3-(2-propylbenzimidazol-1-yl)propanenitrile?
3-(2-propylbenzimidazol-1-yl)propanenitrile has a molecular weight of 213.28 g/mol, XLogP of 2.90, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-propylbenzimidazol-1-yl)propanenitrile is sourced from PubChem (CID 15259068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).