3-methyl-N-[(1-propylbenzimidazol-2-yl)methyl]cyclopentan-1-amine

C17H25N3 — CID 114544004

IUPAC3-methyl-N-[(1-propylbenzimidazol-2-yl)methyl]cyclopentan-1-amine
SMILESCCCn1c(CNC2CCC(C)C2)nc2ccccc21
InChIInChI=1S/C17H25N3/c1-3-10-20-16-7-5-4-6-15(16)19-17(20)12-18-14-9-8-13(2)11-14/h4-7,13-14,18H,3,8-12H2,1-2H3
InChIKeyPQTGDYVQIYJPGB-UHFFFAOYSA-N
MW271.41 g/mol
LogP3.72
Rot. Bonds5

About 3-methyl-N-[(1-propylbenzimidazol-2-yl)methyl]cyclopentan-1-amine

3-methyl-N-[(1-propylbenzimidazol-2-yl)methyl]cyclopentan-1-amine (PubChem CID 114544004) has the molecular formula C17H25N3 and a molecular weight of 271.41 g/mol. Its IUPAC name is 3-methyl-N-[(1-propylbenzimidazol-2-yl)methyl]cyclopentan-1-amine.

Molecular Properties

Compound Name3-methyl-N-[(1-propylbenzimidazol-2-yl)methyl]cyclopentan-1-amine
PubChem CID114544004
Molecular FormulaC17H25N3
Molecular Weight271.41 g/mol
Exact Mass271.20
IUPAC Name3-methyl-N-[(1-propylbenzimidazol-2-yl)methyl]cyclopentan-1-amine
SMILESCCCn1c(CNC2CCC(C)C2)nc2ccccc21
InChIInChI=1S/C17H25N3/c1-3-10-20-16-7-5-4-6-15(16)19-17(20)12-18-14-9-8-13(2)11-14/h4-7,13-14,18H,3,8-12H2,1-2H3
InChIKeyPQTGDYVQIYJPGB-UHFFFAOYSA-N
XLogP3.72
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.41
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-N-[(1-propylbenzimidazol-2-yl)methyl]cyclohexane-1,4-diamine
CID 62319804
1-cyclopropyl-N-[(1-propylbenzimidazol-2-yl)methyl]piperidin-4-amine
CID 119137487
N-[(1-ethylbenzimidazol-2-yl)methyl]-2,4-dimethylcyclohexan-1-amine
CID 63993863
2,2,3,3-tetramethyl-N-[(1-propylbenzimidazol-2-yl)methyl]cyclopropan-1-amine
CID 79352406
2-methoxy-N-[(1-propylbenzimidazol-2-yl)methyl]cyclopentan-1-amine
CID 62088750
N-[(5-fluoro-1-propylbenzimidazol-2-yl)methyl]cyclopropanamine
CID 60835697
N-[(6-fluoro-1-propylbenzimidazol-2-yl)methyl]cyclopropanamine
CID 62378276
1-(3-methylcyclopentyl)-2-(1-propylbenzimidazol-2-yl)ethanamine
CID 79757049
2-[(4-methylpiperidin-1-yl)methyl]-1-propylbenzimidazole
CID 6491176
N-[(1-ethylbenzimidazol-2-yl)methyl]-1-(3-methylcyclopentyl)methanamine
CID 107411845
(1R,2S)-1-[(1-propylbenzimidazol-2-yl)methylamino]-2,3-dihydro-1H-inden-2-ol
CID 110929241
3-[(1-propylbenzimidazol-2-yl)methylamino]piperidin-2-one
CID 62093769

Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-[(1-propylbenzimidazol-2-yl)methyl]cyclopentan-1-amine?
The IUPAC name of 3-methyl-N-[(1-propylbenzimidazol-2-yl)methyl]cyclopentan-1-amine (CID 114544004) is 3-methyl-N-[(1-propylbenzimidazol-2-yl)methyl]cyclopentan-1-amine.
What is the SMILES notation for 3-methyl-N-[(1-propylbenzimidazol-2-yl)methyl]cyclopentan-1-amine?
The canonical SMILES for 3-methyl-N-[(1-propylbenzimidazol-2-yl)methyl]cyclopentan-1-amine is CCCn1c(CNC2CCC(C)C2)nc2ccccc21.
What is the InChIKey of 3-methyl-N-[(1-propylbenzimidazol-2-yl)methyl]cyclopentan-1-amine?
The InChIKey is PQTGDYVQIYJPGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3/c1-3-10-20-16-7-5-4-6-15(16)19-17(20)12-18-14-9-8-13(2)11-14/h4-7,13-14,18H,3,8-12H2,1-2H3.
What are the key properties of 3-methyl-N-[(1-propylbenzimidazol-2-yl)methyl]cyclopentan-1-amine?
3-methyl-N-[(1-propylbenzimidazol-2-yl)methyl]cyclopentan-1-amine has a molecular weight of 271.41 g/mol, XLogP of 3.72, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-[(1-propylbenzimidazol-2-yl)methyl]cyclopentan-1-amine is sourced from PubChem (CID 114544004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).