2-[[2-(4-cyanophenyl)-2-methylpropyl]amino]-1H-benzimidazole-4-carbonitrile

C19H17N5 — CID 170579962

IUPAC2-[[2-(4-cyanophenyl)-2-methylpropyl]amino]-1H-benzimidazole-4-carbonitrile
SMILESCC(C)(CNc1nc2c(C#N)cccc2[nH]1)c1ccc(C#N)cc1
InChIInChI=1S/C19H17N5/c1-19(2,15-8-6-13(10-20)7-9-15)12-22-18-23-16-5-3-4-14(11-21)17(16)24-18/h3-9H,12H2,1-2H3,(H2,22,23,24)
InChIKeyJIZDCRYRVLKONY-UHFFFAOYSA-N
MW315.38 g/mol
LogP3.70
Rot. Bonds4

About 2-[[2-(4-cyanophenyl)-2-methylpropyl]amino]-1H-benzimidazole-4-carbonitrile

2-[[2-(4-cyanophenyl)-2-methylpropyl]amino]-1H-benzimidazole-4-carbonitrile (PubChem CID 170579962) has the molecular formula C19H17N5 and a molecular weight of 315.38 g/mol. Its IUPAC name is 2-[[2-(4-cyanophenyl)-2-methylpropyl]amino]-1H-benzimidazole-4-carbonitrile.

Molecular Properties

Compound Name2-[[2-(4-cyanophenyl)-2-methylpropyl]amino]-1H-benzimidazole-4-carbonitrile
PubChem CID170579962
Molecular FormulaC19H17N5
Molecular Weight315.38 g/mol
Exact Mass315.15
IUPAC Name2-[[2-(4-cyanophenyl)-2-methylpropyl]amino]-1H-benzimidazole-4-carbonitrile
SMILESCC(C)(CNc1nc2c(C#N)cccc2[nH]1)c1ccc(C#N)cc1
InChIInChI=1S/C19H17N5/c1-19(2,15-8-6-13(10-20)7-9-15)12-22-18-23-16-5-3-4-14(11-21)17(16)24-18/h3-9H,12H2,1-2H3,(H2,22,23,24)
InChIKeyJIZDCRYRVLKONY-UHFFFAOYSA-N
XLogP3.70
TPSA88.29 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.38
LogP ≤ 53.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(2-methylphenyl)methylamino]-1H-benzimidazole-4-carbonitrile
CID 172634504
2-[(4-hydroxyphenyl)methylamino]-1H-benzimidazole-4-carbonitrile
CID 172634498
2-(2-phenylpropan-2-yl)-1H-benzimidazole-4-carbonitrile
CID 104720510
2-[2-(2-chlorophenyl)ethylamino]-1H-benzimidazole-4-carbonitrile
CID 172634449
2-[[4-(4-methoxyphenoxy)phenyl]methylamino]-1H-benzimidazole-4-carbonitrile
CID 172634501
N-[2-(3,4-dichlorophenyl)-2-methylpropyl]-4-methoxy-1H-benzimidazol-2-amine
CID 170579838
2-[[2-(3,4-dichlorophenyl)-2-methylpropyl]amino]-N-methyl-1H-benzimidazole-4-carboxamide
CID 170578668
2-[(2,4-difluorophenyl)methylamino]-1H-benzimidazole-4-carbonitrile
CID 170579235
4-[[(4-cyano-1H-benzimidazol-2-yl)amino]methyl]-N-(2-methylpropyl)benzamide
CID 172634410
2-(ethoxymethyl)-1H-benzimidazole-4-carbonitrile
CID 104720448
2-phenyl-1H-benzimidazole-4-carbonitrile
CID 83412719
4-[[(4-cyano-1H-benzimidazol-2-yl)amino]methyl]-N-[(4-phenoxyphenyl)methyl]benzamide
CID 172634467

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(4-cyanophenyl)-2-methylpropyl]amino]-1H-benzimidazole-4-carbonitrile?
The IUPAC name of 2-[[2-(4-cyanophenyl)-2-methylpropyl]amino]-1H-benzimidazole-4-carbonitrile (CID 170579962) is 2-[[2-(4-cyanophenyl)-2-methylpropyl]amino]-1H-benzimidazole-4-carbonitrile.
What is the SMILES notation for 2-[[2-(4-cyanophenyl)-2-methylpropyl]amino]-1H-benzimidazole-4-carbonitrile?
The canonical SMILES for 2-[[2-(4-cyanophenyl)-2-methylpropyl]amino]-1H-benzimidazole-4-carbonitrile is CC(C)(CNc1nc2c(C#N)cccc2[nH]1)c1ccc(C#N)cc1.
What is the InChIKey of 2-[[2-(4-cyanophenyl)-2-methylpropyl]amino]-1H-benzimidazole-4-carbonitrile?
The InChIKey is JIZDCRYRVLKONY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17N5/c1-19(2,15-8-6-13(10-20)7-9-15)12-22-18-23-16-5-3-4-14(11-21)17(16)24-18/h3-9H,12H2,1-2H3,(H2,22,23,24).
What are the key properties of 2-[[2-(4-cyanophenyl)-2-methylpropyl]amino]-1H-benzimidazole-4-carbonitrile?
2-[[2-(4-cyanophenyl)-2-methylpropyl]amino]-1H-benzimidazole-4-carbonitrile has a molecular weight of 315.38 g/mol, XLogP of 3.70, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(4-cyanophenyl)-2-methylpropyl]amino]-1H-benzimidazole-4-carbonitrile is sourced from PubChem (CID 170579962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).