4-methyl-2-(6-pyridin-4-yl-1H-benzimidazol-2-yl)pentan-1-amine

C18H22N4 — CID 118864462

IUPAC4-methyl-2-(6-pyridin-4-yl-1H-benzimidazol-2-yl)pentan-1-amine
SMILESCC(C)CC(CN)c1nc2ccc(-c3ccncc3)cc2[nH]1
InChIInChI=1S/C18H22N4/c1-12(2)9-15(11-19)18-21-16-4-3-14(10-17(16)22-18)13-5-7-20-8-6-13/h3-8,10,12,15H,9,11,19H2,1-2H3,(H,21,22)
InChIKeyLCLVMWOMDDHORY-UHFFFAOYSA-N
MW294.40 g/mol
LogP3.71
Rot. Bonds5

About 4-methyl-2-(6-pyridin-4-yl-1H-benzimidazol-2-yl)pentan-1-amine

4-methyl-2-(6-pyridin-4-yl-1H-benzimidazol-2-yl)pentan-1-amine (PubChem CID 118864462) has the molecular formula C18H22N4 and a molecular weight of 294.40 g/mol. Its IUPAC name is 4-methyl-2-(6-pyridin-4-yl-1H-benzimidazol-2-yl)pentan-1-amine.

Molecular Properties

Compound Name4-methyl-2-(6-pyridin-4-yl-1H-benzimidazol-2-yl)pentan-1-amine
PubChem CID118864462
Molecular FormulaC18H22N4
Molecular Weight294.40 g/mol
Exact Mass294.18
IUPAC Name4-methyl-2-(6-pyridin-4-yl-1H-benzimidazol-2-yl)pentan-1-amine
SMILESCC(C)CC(CN)c1nc2ccc(-c3ccncc3)cc2[nH]1
InChIInChI=1S/C18H22N4/c1-12(2)9-15(11-19)18-21-16-4-3-14(10-17(16)22-18)13-5-7-20-8-6-13/h3-8,10,12,15H,9,11,19H2,1-2H3,(H,21,22)
InChIKeyLCLVMWOMDDHORY-UHFFFAOYSA-N
XLogP3.71
TPSA67.59 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 ≤ 53.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(1R)-N,3-dimethyl-1-(6-pyridin-4-yl-1H-benzimidazol-2-yl)butan-1-amine
CID 118864343
N-methyl-1-(6-pyridin-4-yl-1H-benzimidazol-2-yl)heptan-1-amine
CID 145014227
(1R)-3-methyl-1-[6-(1H-pyrazol-4-yl)-1H-benzimidazol-2-yl]butan-1-amine
CID 130405228
6-phenyl-2-propan-2-yl-1H-benzimidazole
CID 58158979
2-(6-chloro-1H-benzimidazol-2-yl)butan-1-amine
CID 65221447
(1S)-3-methyl-1-(5-pyridin-4-yl-1,3-benzothiazol-2-yl)butan-1-amine
CID 118864479
N,N-dimethyl-4-[2-[(1R)-3-methyl-1-(methylamino)butyl]-3H-benzimidazol-5-yl]pyridin-2-amine;ethane
CID 158703210
(1R)-1-(5-methoxy-6-pyridin-4-yl-1H-benzimidazol-2-yl)-3-methylbutan-1-amine
CID 118864392
2-(6-methoxy-1H-benzimidazol-2-yl)butan-1-amine
CID 65220884
3-methyl-1-(6-methyl-1H-benzimidazol-2-yl)butan-1-amine
CID 43379497
2-(4,6-difluoro-1H-benzimidazol-2-yl)-4-methylpentan-1-amine
CID 81449342
(1R)-2-(4-methoxyphenyl)-1-(6-pyridin-4-yl-1H-benzimidazol-2-yl)ethanamine;bis(2,2,2-trifluoroacetic acid)
CID 117074664

Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-(6-pyridin-4-yl-1H-benzimidazol-2-yl)pentan-1-amine?
The IUPAC name of 4-methyl-2-(6-pyridin-4-yl-1H-benzimidazol-2-yl)pentan-1-amine (CID 118864462) is 4-methyl-2-(6-pyridin-4-yl-1H-benzimidazol-2-yl)pentan-1-amine.
What is the SMILES notation for 4-methyl-2-(6-pyridin-4-yl-1H-benzimidazol-2-yl)pentan-1-amine?
The canonical SMILES for 4-methyl-2-(6-pyridin-4-yl-1H-benzimidazol-2-yl)pentan-1-amine is CC(C)CC(CN)c1nc2ccc(-c3ccncc3)cc2[nH]1.
What is the InChIKey of 4-methyl-2-(6-pyridin-4-yl-1H-benzimidazol-2-yl)pentan-1-amine?
The InChIKey is LCLVMWOMDDHORY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N4/c1-12(2)9-15(11-19)18-21-16-4-3-14(10-17(16)22-18)13-5-7-20-8-6-13/h3-8,10,12,15H,9,11,19H2,1-2H3,(H,21,22).
What are the key properties of 4-methyl-2-(6-pyridin-4-yl-1H-benzimidazol-2-yl)pentan-1-amine?
4-methyl-2-(6-pyridin-4-yl-1H-benzimidazol-2-yl)pentan-1-amine has a molecular weight of 294.40 g/mol, XLogP of 3.71, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-(6-pyridin-4-yl-1H-benzimidazol-2-yl)pentan-1-amine is sourced from PubChem (CID 118864462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).