N-methyl-2-[(2-propylbenzimidazol-1-yl)methyl]pyridin-4-amine

C17H20N4 — CID 115971040

IUPACN-methyl-2-[(2-propylbenzimidazol-1-yl)methyl]pyridin-4-amine
SMILESCCCc1nc2ccccc2n1Cc1cc(NC)ccn1
InChIInChI=1S/C17H20N4/c1-3-6-17-20-15-7-4-5-8-16(15)21(17)12-14-11-13(18-2)9-10-19-14/h4-5,7-11H,3,6,12H2,1-2H3,(H,18,19)
InChIKeyYQXCHECVUHPTEI-UHFFFAOYSA-N
MW280.38 g/mol
LogP3.47
Rot. Bonds5

About N-methyl-2-[(2-propylbenzimidazol-1-yl)methyl]pyridin-4-amine

N-methyl-2-[(2-propylbenzimidazol-1-yl)methyl]pyridin-4-amine (PubChem CID 115971040) has the molecular formula C17H20N4 and a molecular weight of 280.38 g/mol. Its IUPAC name is N-methyl-2-[(2-propylbenzimidazol-1-yl)methyl]pyridin-4-amine.

Molecular Properties

Compound NameN-methyl-2-[(2-propylbenzimidazol-1-yl)methyl]pyridin-4-amine
PubChem CID115971040
Molecular FormulaC17H20N4
Molecular Weight280.38 g/mol
Exact Mass280.17
IUPAC NameN-methyl-2-[(2-propylbenzimidazol-1-yl)methyl]pyridin-4-amine
SMILESCCCc1nc2ccccc2n1Cc1cc(NC)ccn1
InChIInChI=1S/C17H20N4/c1-3-6-17-20-15-7-4-5-8-16(15)21(17)12-14-11-13(18-2)9-10-19-14/h4-5,7-11H,3,6,12H2,1-2H3,(H,18,19)
InChIKeyYQXCHECVUHPTEI-UHFFFAOYSA-N
XLogP3.47
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.38
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-methyl-2-[(2-propylbenzimidazol-1-yl)methyl]pyridin-4-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-methyl-2-[(1-propylbenzimidazol-2-yl)methyl]pyridin-4-amine
CID 102824874
2-propyl-1-(pyrimidin-2-ylmethyl)benzimidazole
CID 116626997
[4-[(2-propylbenzimidazol-1-yl)methyl]-2-pyridinyl]hydrazine
CID 115971072
1-benzyl-2-propylbenzimidazole
CID 764560
1-[(1-ethylimidazol-2-yl)methyl]-2-propylbenzimidazole
CID 116626980
1-[(4-methylphenyl)methyl]-2-propylbenzimidazole
CID 884778
1-[(2-methoxy-3-pyridinyl)methyl]-2-propylbenzimidazole
CID 116627019
1-[(3,4-difluorophenyl)methyl]-2-propylbenzimidazole
CID 115571780
1-[(4-hydrazinyl-2-pyridinyl)methyl]-3-methylquinoxalin-2-one
CID 79262169
1-[(4-iodophenyl)methyl]-2-propylbenzimidazole
CID 115970804
1-[(5-chloro-2-fluorophenyl)methyl]-2-propylbenzimidazole
CID 103050144
1-[(3-bromophenyl)methyl]-2-propylbenzimidazole
CID 115569313

Frequently Asked Questions

What is the IUPAC name of N-methyl-2-[(2-propylbenzimidazol-1-yl)methyl]pyridin-4-amine?
The IUPAC name of N-methyl-2-[(2-propylbenzimidazol-1-yl)methyl]pyridin-4-amine (CID 115971040) is N-methyl-2-[(2-propylbenzimidazol-1-yl)methyl]pyridin-4-amine.
What is the SMILES notation for N-methyl-2-[(2-propylbenzimidazol-1-yl)methyl]pyridin-4-amine?
The canonical SMILES for N-methyl-2-[(2-propylbenzimidazol-1-yl)methyl]pyridin-4-amine is CCCc1nc2ccccc2n1Cc1cc(NC)ccn1.
What is the InChIKey of N-methyl-2-[(2-propylbenzimidazol-1-yl)methyl]pyridin-4-amine?
The InChIKey is YQXCHECVUHPTEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N4/c1-3-6-17-20-15-7-4-5-8-16(15)21(17)12-14-11-13(18-2)9-10-19-14/h4-5,7-11H,3,6,12H2,1-2H3,(H,18,19).
What are the key properties of N-methyl-2-[(2-propylbenzimidazol-1-yl)methyl]pyridin-4-amine?
N-methyl-2-[(2-propylbenzimidazol-1-yl)methyl]pyridin-4-amine has a molecular weight of 280.38 g/mol, XLogP of 3.47, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-[(2-propylbenzimidazol-1-yl)methyl]pyridin-4-amine is sourced from PubChem (CID 115971040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).