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

C14H18N4 — CID 115131551

IUPAC2-[[2-methyl-2-(1-methylbenzimidazol-5-yl)propyl]amino]acetonitrile
SMILESCn1cnc2cc(C(C)(C)CNCC#N)ccc21
InChIInChI=1S/C14H18N4/c1-14(2,9-16-7-6-15)11-4-5-13-12(8-11)17-10-18(13)3/h4-5,8,10,16H,7,9H2,1-3H3
InChIKeyFWOKFOKKWLDQIW-UHFFFAOYSA-N
MW242.33 g/mol
LogP1.96
Rot. Bonds4

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

2-[[2-methyl-2-(1-methylbenzimidazol-5-yl)propyl]amino]acetonitrile (PubChem CID 115131551) has the molecular formula C14H18N4 and a molecular weight of 242.33 g/mol. Its IUPAC name is 2-[[2-methyl-2-(1-methylbenzimidazol-5-yl)propyl]amino]acetonitrile.

Molecular Properties

Compound Name2-[[2-methyl-2-(1-methylbenzimidazol-5-yl)propyl]amino]acetonitrile
PubChem CID115131551
Molecular FormulaC14H18N4
Molecular Weight242.33 g/mol
Exact Mass242.15
IUPAC Name2-[[2-methyl-2-(1-methylbenzimidazol-5-yl)propyl]amino]acetonitrile
SMILESCn1cnc2cc(C(C)(C)CNCC#N)ccc21
InChIInChI=1S/C14H18N4/c1-14(2,9-16-7-6-15)11-4-5-13-12(8-11)17-10-18(13)3/h4-5,8,10,16H,7,9H2,1-3H3
InChIKeyFWOKFOKKWLDQIW-UHFFFAOYSA-N
XLogP1.96
TPSA53.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.33
LogP ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-[[2-methyl-2-(1-methylbenzimidazol-5-yl)propyl]amino]propanenitrile
CID 115231375
2-[[2-methyl-2-(1-methylbenzimidazol-5-yl)propyl]amino]ethanethiol
CID 115224519
N-[2-methyl-2-(1-methylbenzimidazol-5-yl)propyl]carbamoyl chloride
CID 115195194
2,2-dimethyl-3-[(1-methylbenzimidazol-5-yl)methylamino]propanenitrile
CID 115234056
2,2-dimethyl-3-(1-methylbenzimidazol-5-yl)propanenitrile
CID 116927691
2-[[2-(2,3-dihydro-1H-inden-5-yl)-2-methylpropyl]amino]acetonitrile
CID 115131481
2-methyl-2-[2-(1-methylbenzimidazol-5-yl)ethylamino]propanenitrile
CID 115129612
2-[[2-(3-chloro-4-methoxyphenyl)-2-methylpropyl]amino]acetonitrile
CID 115131477
2,2-dimethyl-3-[(1-methylbenzimidazol-5-yl)amino]propan-1-ol
CID 115135155
2-[[2-(5-tert-butyl-2-methylphenyl)-2-methylpropyl]amino]acetonitrile
CID 115131487
3-amino-2,2-dimethyl-3-(1-methylbenzimidazol-5-yl)propanenitrile
CID 116940438
5-[cyclopropyl(difluoro)methyl]-1-methylbenzimidazole
CID 116841728

Frequently Asked Questions

What is the IUPAC name of 2-[[2-methyl-2-(1-methylbenzimidazol-5-yl)propyl]amino]acetonitrile?
The IUPAC name of 2-[[2-methyl-2-(1-methylbenzimidazol-5-yl)propyl]amino]acetonitrile (CID 115131551) is 2-[[2-methyl-2-(1-methylbenzimidazol-5-yl)propyl]amino]acetonitrile.
What is the SMILES notation for 2-[[2-methyl-2-(1-methylbenzimidazol-5-yl)propyl]amino]acetonitrile?
The canonical SMILES for 2-[[2-methyl-2-(1-methylbenzimidazol-5-yl)propyl]amino]acetonitrile is Cn1cnc2cc(C(C)(C)CNCC#N)ccc21.
What is the InChIKey of 2-[[2-methyl-2-(1-methylbenzimidazol-5-yl)propyl]amino]acetonitrile?
The InChIKey is FWOKFOKKWLDQIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4/c1-14(2,9-16-7-6-15)11-4-5-13-12(8-11)17-10-18(13)3/h4-5,8,10,16H,7,9H2,1-3H3.
What are the key properties of 2-[[2-methyl-2-(1-methylbenzimidazol-5-yl)propyl]amino]acetonitrile?
2-[[2-methyl-2-(1-methylbenzimidazol-5-yl)propyl]amino]acetonitrile has a molecular weight of 242.33 g/mol, XLogP of 1.96, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-methyl-2-(1-methylbenzimidazol-5-yl)propyl]amino]acetonitrile is sourced from PubChem (CID 115131551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).