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

C20H26N4 — CID 145014227

IUPACN-methyl-1-(6-pyridin-4-yl-1H-benzimidazol-2-yl)heptan-1-amine
SMILESCCCCCCC(NC)c1nc2ccc(-c3ccncc3)cc2[nH]1
InChIInChI=1S/C20H26N4/c1-3-4-5-6-7-18(21-2)20-23-17-9-8-16(14-19(17)24-20)15-10-12-22-13-11-15/h8-14,18,21H,3-7H2,1-2H3,(H,23,24)
InChIKeyYJYCOWHLRWFWMV-UHFFFAOYSA-N
MW322.46 g/mol
LogP4.86
Rot. Bonds8

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

N-methyl-1-(6-pyridin-4-yl-1H-benzimidazol-2-yl)heptan-1-amine (PubChem CID 145014227) has the molecular formula C20H26N4 and a molecular weight of 322.46 g/mol. Its IUPAC name is N-methyl-1-(6-pyridin-4-yl-1H-benzimidazol-2-yl)heptan-1-amine.

Molecular Properties

Compound NameN-methyl-1-(6-pyridin-4-yl-1H-benzimidazol-2-yl)heptan-1-amine
PubChem CID145014227
Molecular FormulaC20H26N4
Molecular Weight322.46 g/mol
Exact Mass322.22
IUPAC NameN-methyl-1-(6-pyridin-4-yl-1H-benzimidazol-2-yl)heptan-1-amine
SMILESCCCCCCC(NC)c1nc2ccc(-c3ccncc3)cc2[nH]1
InChIInChI=1S/C20H26N4/c1-3-4-5-6-7-18(21-2)20-23-17-9-8-16(14-19(17)24-20)15-10-12-22-13-11-15/h8-14,18,21H,3-7H2,1-2H3,(H,23,24)
InChIKeyYJYCOWHLRWFWMV-UHFFFAOYSA-N
XLogP4.86
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.46
LogP ≤ 54.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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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-pyridin-4-yldecan-1-amine
CID 62600532
4-methyl-2-(6-pyridin-4-yl-1H-benzimidazol-2-yl)pentan-1-amine
CID 118864462
N,N-dimethyl-4-[2-[(1R)-3-methyl-1-(methylamino)butyl]-3H-benzimidazol-5-yl]pyridin-2-amine;ethane
CID 158703210
6-pyrimidin-2-yl-2-[1-(6-pyrimidin-2-yl-1H-benzimidazol-2-yl)pentyl]-1H-benzimidazole
CID 69026689
(1R)-N,3-dimethyl-1-[6-(1,3-oxazol-5-yl)-1H-benzimidazol-2-yl]butan-1-amine
CID 118880591
2-butyl-6-(2-butyl-3H-benzimidazol-5-yl)-1H-benzimidazole
CID 101449351
(1S)-1-[6-(4-isocyanophenyl)-1H-benzimidazol-2-yl]butan-1-amine
CID 123507625
6-phenyl-2-propan-2-yl-1H-benzimidazole
CID 58158979
2-hexadecan-7-yl-1H-benzimidazole
CID 54269360
1-isoquinolin-8-yl-N-methylheptan-1-amine
CID 103137970
1-pyridin-4-ylheptylhydrazine
CID 105196555

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-(6-pyridin-4-yl-1H-benzimidazol-2-yl)heptan-1-amine?
The IUPAC name of N-methyl-1-(6-pyridin-4-yl-1H-benzimidazol-2-yl)heptan-1-amine (CID 145014227) is N-methyl-1-(6-pyridin-4-yl-1H-benzimidazol-2-yl)heptan-1-amine.
What is the SMILES notation for N-methyl-1-(6-pyridin-4-yl-1H-benzimidazol-2-yl)heptan-1-amine?
The canonical SMILES for N-methyl-1-(6-pyridin-4-yl-1H-benzimidazol-2-yl)heptan-1-amine is CCCCCCC(NC)c1nc2ccc(-c3ccncc3)cc2[nH]1.
What is the InChIKey of N-methyl-1-(6-pyridin-4-yl-1H-benzimidazol-2-yl)heptan-1-amine?
The InChIKey is YJYCOWHLRWFWMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N4/c1-3-4-5-6-7-18(21-2)20-23-17-9-8-16(14-19(17)24-20)15-10-12-22-13-11-15/h8-14,18,21H,3-7H2,1-2H3,(H,23,24).
What are the key properties of N-methyl-1-(6-pyridin-4-yl-1H-benzimidazol-2-yl)heptan-1-amine?
N-methyl-1-(6-pyridin-4-yl-1H-benzimidazol-2-yl)heptan-1-amine has a molecular weight of 322.46 g/mol, XLogP of 4.86, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-(6-pyridin-4-yl-1H-benzimidazol-2-yl)heptan-1-amine is sourced from PubChem (CID 145014227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).