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

C17H20N4 — CID 102824874

IUPACN-methyl-2-[(1-propylbenzimidazol-2-yl)methyl]pyridin-4-amine
SMILESCCCn1c(Cc2cc(NC)ccn2)nc2ccccc21
InChIInChI=1S/C17H20N4/c1-3-10-21-16-7-5-4-6-15(16)20-17(21)12-14-11-13(18-2)8-9-19-14/h4-9,11H,3,10,12H2,1-2H3,(H,18,19)
InChIKeyQIVJRHHSZDKWHG-UHFFFAOYSA-N
MW280.38 g/mol
LogP3.47
Rot. Bonds5

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

N-methyl-2-[(1-propylbenzimidazol-2-yl)methyl]pyridin-4-amine (PubChem CID 102824874) has the molecular formula C17H20N4 and a molecular weight of 280.38 g/mol. Its IUPAC name is N-methyl-2-[(1-propylbenzimidazol-2-yl)methyl]pyridin-4-amine.

Molecular Properties

Compound NameN-methyl-2-[(1-propylbenzimidazol-2-yl)methyl]pyridin-4-amine
PubChem CID102824874
Molecular FormulaC17H20N4
Molecular Weight280.38 g/mol
Exact Mass280.17
IUPAC NameN-methyl-2-[(1-propylbenzimidazol-2-yl)methyl]pyridin-4-amine
SMILESCCCn1c(Cc2cc(NC)ccn2)nc2ccccc21
InChIInChI=1S/C17H20N4/c1-3-10-21-16-7-5-4-6-15(16)20-17(21)12-14-11-13(18-2)8-9-19-14/h4-9,11H,3,10,12H2,1-2H3,(H,18,19)
InChIKeyQIVJRHHSZDKWHG-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

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Related Compounds

2-[(4-fluoro-2-pyridinyl)methyl]-1-propylbenzimidazole
CID 102824508
N-methyl-2-[(2-propylbenzimidazol-1-yl)methyl]pyridin-4-amine
CID 115971040
N-methyl-3-[(1-propylbenzimidazol-2-yl)methyl]aniline
CID 106505787
1-propyl-2-[(1-propylbenzimidazol-2-yl)methyl]benzimidazole
CID 102471082
N-methyl-6-[(1-propylbenzimidazol-2-yl)methyl]pyridazin-3-amine
CID 79755479
N-methyl-6-[(1-propylbenzimidazol-2-yl)methyl]pyridin-2-amine
CID 79755294
2-[(2-chloro-6-methylpyrimidin-4-yl)methyl]-1-propylbenzimidazole
CID 79754826
trifluoro-[(1-propylbenzimidazol-2-yl)methyl]boranuide
CID 79753961
1-propyl-2-[(1-propylbenzimidazol-2-yl)methoxymethyl]benzimidazole
CID 11302951
[5-[(1-propylbenzimidazol-2-yl)methyl]thiophen-2-yl]methanamine
CID 79753969
N-methyl-4-(1-propylbenzimidazol-2-yl)butan-1-amine
CID 79750802
2-[(4-bromopyrimidin-5-yl)methyl]-1-propylbenzimidazole
CID 105371351

Frequently Asked Questions

What is the IUPAC name of N-methyl-2-[(1-propylbenzimidazol-2-yl)methyl]pyridin-4-amine?
The IUPAC name of N-methyl-2-[(1-propylbenzimidazol-2-yl)methyl]pyridin-4-amine (CID 102824874) is N-methyl-2-[(1-propylbenzimidazol-2-yl)methyl]pyridin-4-amine.
What is the SMILES notation for N-methyl-2-[(1-propylbenzimidazol-2-yl)methyl]pyridin-4-amine?
The canonical SMILES for N-methyl-2-[(1-propylbenzimidazol-2-yl)methyl]pyridin-4-amine is CCCn1c(Cc2cc(NC)ccn2)nc2ccccc21.
What is the InChIKey of N-methyl-2-[(1-propylbenzimidazol-2-yl)methyl]pyridin-4-amine?
The InChIKey is QIVJRHHSZDKWHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N4/c1-3-10-21-16-7-5-4-6-15(16)20-17(21)12-14-11-13(18-2)8-9-19-14/h4-9,11H,3,10,12H2,1-2H3,(H,18,19).
What are the key properties of N-methyl-2-[(1-propylbenzimidazol-2-yl)methyl]pyridin-4-amine?
N-methyl-2-[(1-propylbenzimidazol-2-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-[(1-propylbenzimidazol-2-yl)methyl]pyridin-4-amine is sourced from PubChem (CID 102824874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).