2-[2-(10-aminodecyl)-5,6-dimethylbenzimidazol-1-yl]acetonitrile

C21H32N4 — CID 92635833

IUPAC2-[2-(10-aminodecyl)-5,6-dimethylbenzimidazol-1-yl]acetonitrile
SMILESCc1cc2nc(CCCCCCCCCCN)n(CC#N)c2cc1C
InChIInChI=1S/C21H32N4/c1-17-15-19-20(16-18(17)2)25(14-13-23)21(24-19)11-9-7-5-3-4-6-8-10-12-22/h15-16H,3-12,14,22H2,1-2H3
InChIKeyOYPWCTBKNZGOTA-UHFFFAOYSA-N
MW340.52 g/mol
LogP4.80
Rot. Bonds11

About 2-[2-(10-aminodecyl)-5,6-dimethylbenzimidazol-1-yl]acetonitrile

2-[2-(10-aminodecyl)-5,6-dimethylbenzimidazol-1-yl]acetonitrile (PubChem CID 92635833) has the molecular formula C21H32N4 and a molecular weight of 340.52 g/mol. Its IUPAC name is 2-[2-(10-aminodecyl)-5,6-dimethylbenzimidazol-1-yl]acetonitrile.

Molecular Properties

Compound Name2-[2-(10-aminodecyl)-5,6-dimethylbenzimidazol-1-yl]acetonitrile
PubChem CID92635833
Molecular FormulaC21H32N4
Molecular Weight340.52 g/mol
Exact Mass340.26
IUPAC Name2-[2-(10-aminodecyl)-5,6-dimethylbenzimidazol-1-yl]acetonitrile
SMILESCc1cc2nc(CCCCCCCCCCN)n(CC#N)c2cc1C
InChIInChI=1S/C21H32N4/c1-17-15-19-20(16-18(17)2)25(14-13-23)21(24-19)11-9-7-5-3-4-6-8-10-12-22/h15-16H,3-12,14,22H2,1-2H3
InChIKeyOYPWCTBKNZGOTA-UHFFFAOYSA-N
XLogP4.80
TPSA67.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.52
LogP ≤ 54.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-(2-ethyl-5,6-dimethylbenzimidazol-1-yl)acetonitrile
CID 39157826
3-(5,6-dimethyl-2-propylbenzimidazol-1-yl)propan-1-amine
CID 82145072
10-(1-ethyl-5,6-dimethoxybenzimidazol-2-yl)decan-1-amine
CID 92636108
2-[5,6-dimethyl-2-(thiophen-2-ylmethyl)benzimidazol-1-yl]acetonitrile
CID 39157935
3-[2-(2-aminoethyl)-5,6-dimethylbenzimidazol-1-yl]propane-1,2-diol
CID 82024878
2-[2-(2-chlorophenyl)-5,6-dimethylbenzimidazol-1-yl]acetonitrile
CID 39157949
4-[2-(2-cyclohexylethyl)-5,6-dimethylbenzimidazol-1-yl]butanenitrile
CID 82150472
3-(5-methoxy-1-prop-2-ynylbenzimidazol-2-yl)propan-1-amine
CID 82334293
2-[2-(3-methoxyphenyl)-5,6-dimethylbenzimidazol-1-yl]acetonitrile
CID 39157929
4-[2-(4-fluorophenyl)-5,6-dimethylbenzimidazol-1-yl]butan-1-amine
CID 94748001
4-[2-(3,4-difluorophenyl)-5,6-dimethylbenzimidazol-1-yl]butanenitrile
CID 82150475
3-(5-chloro-1-hexylbenzimidazol-2-yl)propan-1-amine
CID 82332507

Frequently Asked Questions

What is the IUPAC name of 2-[2-(10-aminodecyl)-5,6-dimethylbenzimidazol-1-yl]acetonitrile?
The IUPAC name of 2-[2-(10-aminodecyl)-5,6-dimethylbenzimidazol-1-yl]acetonitrile (CID 92635833) is 2-[2-(10-aminodecyl)-5,6-dimethylbenzimidazol-1-yl]acetonitrile.
What is the SMILES notation for 2-[2-(10-aminodecyl)-5,6-dimethylbenzimidazol-1-yl]acetonitrile?
The canonical SMILES for 2-[2-(10-aminodecyl)-5,6-dimethylbenzimidazol-1-yl]acetonitrile is Cc1cc2nc(CCCCCCCCCCN)n(CC#N)c2cc1C.
What is the InChIKey of 2-[2-(10-aminodecyl)-5,6-dimethylbenzimidazol-1-yl]acetonitrile?
The InChIKey is OYPWCTBKNZGOTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H32N4/c1-17-15-19-20(16-18(17)2)25(14-13-23)21(24-19)11-9-7-5-3-4-6-8-10-12-22/h15-16H,3-12,14,22H2,1-2H3.
What are the key properties of 2-[2-(10-aminodecyl)-5,6-dimethylbenzimidazol-1-yl]acetonitrile?
2-[2-(10-aminodecyl)-5,6-dimethylbenzimidazol-1-yl]acetonitrile has a molecular weight of 340.52 g/mol, XLogP of 4.80, 11 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(10-aminodecyl)-5,6-dimethylbenzimidazol-1-yl]acetonitrile is sourced from PubChem (CID 92635833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).