(1R)-N,3-dimethyl-1-(6-pyridin-4-yl-1H-benzimidazol-2-yl)butan-1-amine

C18H22N4 — CID 118864343

IUPAC(1R)-N,3-dimethyl-1-(6-pyridin-4-yl-1H-benzimidazol-2-yl)butan-1-amine
SMILESCN[C@H](CC(C)C)c1nc2ccc(-c3ccncc3)cc2[nH]1
InChIInChI=1S/C18H22N4/c1-12(2)10-17(19-3)18-21-15-5-4-14(11-16(15)22-18)13-6-8-20-9-7-13/h4-9,11-12,17,19H,10H2,1-3H3,(H,21,22)/t17-/m1/s1
InChIKeyBUBFFUZKUNRBPZ-QGZVFWFLSA-N
MW294.40 g/mol
LogP3.93
Rot. Bonds5

About (1R)-N,3-dimethyl-1-(6-pyridin-4-yl-1H-benzimidazol-2-yl)butan-1-amine

(1R)-N,3-dimethyl-1-(6-pyridin-4-yl-1H-benzimidazol-2-yl)butan-1-amine (PubChem CID 118864343) has the molecular formula C18H22N4 and a molecular weight of 294.40 g/mol. Its IUPAC name is (1R)-N,3-dimethyl-1-(6-pyridin-4-yl-1H-benzimidazol-2-yl)butan-1-amine.

Molecular Properties

Compound Name(1R)-N,3-dimethyl-1-(6-pyridin-4-yl-1H-benzimidazol-2-yl)butan-1-amine
PubChem CID118864343
Molecular FormulaC18H22N4
Molecular Weight294.40 g/mol
Exact Mass294.18
IUPAC Name(1R)-N,3-dimethyl-1-(6-pyridin-4-yl-1H-benzimidazol-2-yl)butan-1-amine
SMILESCN[C@H](CC(C)C)c1nc2ccc(-c3ccncc3)cc2[nH]1
InChIInChI=1S/C18H22N4/c1-12(2)10-17(19-3)18-21-15-5-4-14(11-16(15)22-18)13-6-8-20-9-7-13/h4-9,11-12,17,19H,10H2,1-3H3,(H,21,22)/t17-/m1/s1
InChIKeyBUBFFUZKUNRBPZ-QGZVFWFLSA-N
XLogP3.93
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.40
LogP ≤ 53.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze (1R)-N,3-dimethyl-1-(6-pyridin-4-yl-1H-benzimidazol-2-yl)butan-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N,N-dimethyl-4-[2-[(1R)-3-methyl-1-(methylamino)butyl]-3H-benzimidazol-5-yl]pyridin-2-amine;ethane
CID 158703210
N-methyl-1-(6-pyridin-4-yl-1H-benzimidazol-2-yl)heptan-1-amine
CID 145014227
(1R)-N,3-dimethyl-1-[6-(1,3-oxazol-5-yl)-1H-benzimidazol-2-yl]butan-1-amine
CID 118880591
4-methyl-2-(6-pyridin-4-yl-1H-benzimidazol-2-yl)pentan-1-amine
CID 118864462
6-phenyl-2-propan-2-yl-1H-benzimidazole
CID 58158979
(1R)-3-methyl-1-[6-(1H-pyrazol-4-yl)-1H-benzimidazol-2-yl]butan-1-amine
CID 130405228
(1R)-1-(5-methoxy-6-pyridin-4-yl-1H-benzimidazol-2-yl)-3-methylbutan-1-amine
CID 118864392
(1R)-2-(4-methoxyphenyl)-1-(6-pyridin-4-yl-1H-benzimidazol-2-yl)ethanamine;bis(2,2,2-trifluoroacetic acid)
CID 117074664
3-methyl-1-(6-methyl-1H-benzimidazol-2-yl)butan-1-amine
CID 43379497
2-hydroxy-N-[(1S)-1-[6-[4-[2-[(1S)-1-[(2-hydroxy-2,4-dimethylpentanoyl)amino]-2,2-dimethylpropyl]-3H-benzimidazol-5-yl]phenyl]-1H-benzimidazol-2-yl]-2,2-dimethylpropyl]-2,4-dimethylpentanamide
CID 126561253
N-[(1S)-1-(1H-benzimidazol-2-yl)-3-methylbutyl]pyridine-2-carboxamide
CID 41036697
(2R)-4-methyl-N-(2-propan-2-yl-3H-benzimidazol-5-yl)-2-pyrrol-1-ylpentanamide
CID 110205676

Frequently Asked Questions

What is the IUPAC name of (1R)-N,3-dimethyl-1-(6-pyridin-4-yl-1H-benzimidazol-2-yl)butan-1-amine?
The IUPAC name of (1R)-N,3-dimethyl-1-(6-pyridin-4-yl-1H-benzimidazol-2-yl)butan-1-amine (CID 118864343) is (1R)-N,3-dimethyl-1-(6-pyridin-4-yl-1H-benzimidazol-2-yl)butan-1-amine.
What is the SMILES notation for (1R)-N,3-dimethyl-1-(6-pyridin-4-yl-1H-benzimidazol-2-yl)butan-1-amine?
The canonical SMILES for (1R)-N,3-dimethyl-1-(6-pyridin-4-yl-1H-benzimidazol-2-yl)butan-1-amine is CN[C@H](CC(C)C)c1nc2ccc(-c3ccncc3)cc2[nH]1.
What is the InChIKey of (1R)-N,3-dimethyl-1-(6-pyridin-4-yl-1H-benzimidazol-2-yl)butan-1-amine?
The InChIKey is BUBFFUZKUNRBPZ-QGZVFWFLSA-N. The full InChI is InChI=1S/C18H22N4/c1-12(2)10-17(19-3)18-21-15-5-4-14(11-16(15)22-18)13-6-8-20-9-7-13/h4-9,11-12,17,19H,10H2,1-3H3,(H,21,22)/t17-/m1/s1.
What are the key properties of (1R)-N,3-dimethyl-1-(6-pyridin-4-yl-1H-benzimidazol-2-yl)butan-1-amine?
(1R)-N,3-dimethyl-1-(6-pyridin-4-yl-1H-benzimidazol-2-yl)butan-1-amine has a molecular weight of 294.40 g/mol, XLogP of 3.93, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-N,3-dimethyl-1-(6-pyridin-4-yl-1H-benzimidazol-2-yl)butan-1-amine is sourced from PubChem (CID 118864343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).