2-[2-[(dipropylamino)methyl]-5-methylbenzimidazol-1-yl]acetonitrile

C17H24N4 — CID 82311169

IUPAC2-[2-[(dipropylamino)methyl]-5-methylbenzimidazol-1-yl]acetonitrile
SMILESCCCN(CCC)Cc1nc2cc(C)ccc2n1CC#N
InChIInChI=1S/C17H24N4/c1-4-9-20(10-5-2)13-17-19-15-12-14(3)6-7-16(15)21(17)11-8-18/h6-7,12H,4-5,9-11,13H2,1-3H3
InChIKeyITEYANRBBLSAJU-UHFFFAOYSA-N
MW284.41 g/mol
LogP3.49
Rot. Bonds7

About 2-[2-[(dipropylamino)methyl]-5-methylbenzimidazol-1-yl]acetonitrile

2-[2-[(dipropylamino)methyl]-5-methylbenzimidazol-1-yl]acetonitrile (PubChem CID 82311169) has the molecular formula C17H24N4 and a molecular weight of 284.41 g/mol. Its IUPAC name is 2-[2-[(dipropylamino)methyl]-5-methylbenzimidazol-1-yl]acetonitrile.

Molecular Properties

Compound Name2-[2-[(dipropylamino)methyl]-5-methylbenzimidazol-1-yl]acetonitrile
PubChem CID82311169
Molecular FormulaC17H24N4
Molecular Weight284.41 g/mol
Exact Mass284.20
IUPAC Name2-[2-[(dipropylamino)methyl]-5-methylbenzimidazol-1-yl]acetonitrile
SMILESCCCN(CCC)Cc1nc2cc(C)ccc2n1CC#N
InChIInChI=1S/C17H24N4/c1-4-9-20(10-5-2)13-17-19-15-12-14(3)6-7-16(15)21(17)11-8-18/h6-7,12H,4-5,9-11,13H2,1-3H3
InChIKeyITEYANRBBLSAJU-UHFFFAOYSA-N
XLogP3.49
TPSA44.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.41
LogP ≤ 53.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[2-[(dipropylamino)methyl]-5-methylbenzimidazol-1-yl]acetonitrile?
The IUPAC name of 2-[2-[(dipropylamino)methyl]-5-methylbenzimidazol-1-yl]acetonitrile (CID 82311169) is 2-[2-[(dipropylamino)methyl]-5-methylbenzimidazol-1-yl]acetonitrile.
What is the SMILES notation for 2-[2-[(dipropylamino)methyl]-5-methylbenzimidazol-1-yl]acetonitrile?
The canonical SMILES for 2-[2-[(dipropylamino)methyl]-5-methylbenzimidazol-1-yl]acetonitrile is CCCN(CCC)Cc1nc2cc(C)ccc2n1CC#N.
What is the InChIKey of 2-[2-[(dipropylamino)methyl]-5-methylbenzimidazol-1-yl]acetonitrile?
The InChIKey is ITEYANRBBLSAJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N4/c1-4-9-20(10-5-2)13-17-19-15-12-14(3)6-7-16(15)21(17)11-8-18/h6-7,12H,4-5,9-11,13H2,1-3H3.
What are the key properties of 2-[2-[(dipropylamino)methyl]-5-methylbenzimidazol-1-yl]acetonitrile?
2-[2-[(dipropylamino)methyl]-5-methylbenzimidazol-1-yl]acetonitrile has a molecular weight of 284.41 g/mol, XLogP of 3.49, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(dipropylamino)methyl]-5-methylbenzimidazol-1-yl]acetonitrile is sourced from PubChem (CID 82311169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).