2-[2-[1-(dimethylamino)propyl]-5-methoxybenzimidazol-1-yl]acetonitrile

C15H20N4O — CID 82311242

IUPAC2-[2-[1-(dimethylamino)propyl]-5-methoxybenzimidazol-1-yl]acetonitrile
SMILESCCC(c1nc2cc(OC)ccc2n1CC#N)N(C)C
InChIInChI=1S/C15H20N4O/c1-5-13(18(2)3)15-17-12-10-11(20-4)6-7-14(12)19(15)9-8-16/h6-7,10,13H,5,9H2,1-4H3
InChIKeyCNBLGZAPNMAJQR-UHFFFAOYSA-N
MW272.35 g/mol
LogP2.58
Rot. Bonds5

About 2-[2-[1-(dimethylamino)propyl]-5-methoxybenzimidazol-1-yl]acetonitrile

2-[2-[1-(dimethylamino)propyl]-5-methoxybenzimidazol-1-yl]acetonitrile (PubChem CID 82311242) has the molecular formula C15H20N4O and a molecular weight of 272.35 g/mol. Its IUPAC name is 2-[2-[1-(dimethylamino)propyl]-5-methoxybenzimidazol-1-yl]acetonitrile.

Molecular Properties

Compound Name2-[2-[1-(dimethylamino)propyl]-5-methoxybenzimidazol-1-yl]acetonitrile
PubChem CID82311242
Molecular FormulaC15H20N4O
Molecular Weight272.35 g/mol
Exact Mass272.16
IUPAC Name2-[2-[1-(dimethylamino)propyl]-5-methoxybenzimidazol-1-yl]acetonitrile
SMILESCCC(c1nc2cc(OC)ccc2n1CC#N)N(C)C
InChIInChI=1S/C15H20N4O/c1-5-13(18(2)3)15-17-12-10-11(20-4)6-7-14(12)19(15)9-8-16/h6-7,10,13H,5,9H2,1-4H3
InChIKeyCNBLGZAPNMAJQR-UHFFFAOYSA-N
XLogP2.58
TPSA54.08 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.35
LogP ≤ 52.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[2-[1-(dimethylamino)propyl]-5-methoxybenzimidazol-1-yl]acetonitrile?
The IUPAC name of 2-[2-[1-(dimethylamino)propyl]-5-methoxybenzimidazol-1-yl]acetonitrile (CID 82311242) is 2-[2-[1-(dimethylamino)propyl]-5-methoxybenzimidazol-1-yl]acetonitrile.
What is the SMILES notation for 2-[2-[1-(dimethylamino)propyl]-5-methoxybenzimidazol-1-yl]acetonitrile?
The canonical SMILES for 2-[2-[1-(dimethylamino)propyl]-5-methoxybenzimidazol-1-yl]acetonitrile is CCC(c1nc2cc(OC)ccc2n1CC#N)N(C)C.
What is the InChIKey of 2-[2-[1-(dimethylamino)propyl]-5-methoxybenzimidazol-1-yl]acetonitrile?
The InChIKey is CNBLGZAPNMAJQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4O/c1-5-13(18(2)3)15-17-12-10-11(20-4)6-7-14(12)19(15)9-8-16/h6-7,10,13H,5,9H2,1-4H3.
What are the key properties of 2-[2-[1-(dimethylamino)propyl]-5-methoxybenzimidazol-1-yl]acetonitrile?
2-[2-[1-(dimethylamino)propyl]-5-methoxybenzimidazol-1-yl]acetonitrile has a molecular weight of 272.35 g/mol, XLogP of 2.58, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[1-(dimethylamino)propyl]-5-methoxybenzimidazol-1-yl]acetonitrile is sourced from PubChem (CID 82311242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).