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

C17H25N3O — CID 62088750

IUPAC2-methoxy-N-[(1-propylbenzimidazol-2-yl)methyl]cyclopentan-1-amine
SMILESCCCn1c(CNC2CCCC2OC)nc2ccccc21
InChIInChI=1S/C17H25N3O/c1-3-11-20-15-9-5-4-7-13(15)19-17(20)12-18-14-8-6-10-16(14)21-2/h4-5,7,9,14,16,18H,3,6,8,10-12H2,1-2H3
InChIKeyAXRUTCBDORIVMW-UHFFFAOYSA-N
MW287.41 g/mol
LogP3.10
Rot. Bonds6

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

2-methoxy-N-[(1-propylbenzimidazol-2-yl)methyl]cyclopentan-1-amine (PubChem CID 62088750) has the molecular formula C17H25N3O and a molecular weight of 287.41 g/mol. Its IUPAC name is 2-methoxy-N-[(1-propylbenzimidazol-2-yl)methyl]cyclopentan-1-amine.

Molecular Properties

Compound Name2-methoxy-N-[(1-propylbenzimidazol-2-yl)methyl]cyclopentan-1-amine
PubChem CID62088750
Molecular FormulaC17H25N3O
Molecular Weight287.41 g/mol
Exact Mass287.20
IUPAC Name2-methoxy-N-[(1-propylbenzimidazol-2-yl)methyl]cyclopentan-1-amine
SMILESCCCn1c(CNC2CCCC2OC)nc2ccccc21
InChIInChI=1S/C17H25N3O/c1-3-11-20-15-9-5-4-7-13(15)19-17(20)12-18-14-8-6-10-16(14)21-2/h4-5,7,9,14,16,18H,3,6,8,10-12H2,1-2H3
InChIKeyAXRUTCBDORIVMW-UHFFFAOYSA-N
XLogP3.10
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.41
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-methyl-N-[(1-propylbenzimidazol-2-yl)methyl]cyclopentan-1-amine
CID 114544004
4-N-[(1-propylbenzimidazol-2-yl)methyl]cyclohexane-1,4-diamine
CID 62319804
2,2,3,3-tetramethyl-N-[(1-propylbenzimidazol-2-yl)methyl]cyclopropan-1-amine
CID 79352406
1-cyclopropyl-N-[(1-propylbenzimidazol-2-yl)methyl]piperidin-4-amine
CID 119137487
3-[(1-propylbenzimidazol-2-yl)methylamino]piperidin-2-one
CID 62093769
2-[(1-propylbenzimidazol-2-yl)methyl]cyclopentan-1-ol
CID 79750412
N-[(1-ethylbenzimidazol-2-yl)methyl]-2,4-dimethylcyclohexan-1-amine
CID 63993863
1-(6-bicyclo[3.1.0]hexanyl)-2-(1-propylbenzimidazol-2-yl)ethanol
CID 115818131
(1R,2S)-1-[(1-propylbenzimidazol-2-yl)methylamino]-2,3-dihydro-1H-inden-2-ol
CID 110929241
1-propyl-2-[(1-propylbenzimidazol-2-yl)methyl]benzimidazole
CID 102471082
N-[(1-methylcyclobutyl)methyl]-1-(1-propylbenzimidazol-2-yl)methanamine
CID 103735922
1-cyclopropyl-2-[(1-propylbenzimidazol-2-yl)methylamino]ethanol
CID 63299001

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-N-[(1-propylbenzimidazol-2-yl)methyl]cyclopentan-1-amine?
The IUPAC name of 2-methoxy-N-[(1-propylbenzimidazol-2-yl)methyl]cyclopentan-1-amine (CID 62088750) is 2-methoxy-N-[(1-propylbenzimidazol-2-yl)methyl]cyclopentan-1-amine.
What is the SMILES notation for 2-methoxy-N-[(1-propylbenzimidazol-2-yl)methyl]cyclopentan-1-amine?
The canonical SMILES for 2-methoxy-N-[(1-propylbenzimidazol-2-yl)methyl]cyclopentan-1-amine is CCCn1c(CNC2CCCC2OC)nc2ccccc21.
What is the InChIKey of 2-methoxy-N-[(1-propylbenzimidazol-2-yl)methyl]cyclopentan-1-amine?
The InChIKey is AXRUTCBDORIVMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3O/c1-3-11-20-15-9-5-4-7-13(15)19-17(20)12-18-14-8-6-10-16(14)21-2/h4-5,7,9,14,16,18H,3,6,8,10-12H2,1-2H3.
What are the key properties of 2-methoxy-N-[(1-propylbenzimidazol-2-yl)methyl]cyclopentan-1-amine?
2-methoxy-N-[(1-propylbenzimidazol-2-yl)methyl]cyclopentan-1-amine has a molecular weight of 287.41 g/mol, XLogP of 3.10, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-N-[(1-propylbenzimidazol-2-yl)methyl]cyclopentan-1-amine is sourced from PubChem (CID 62088750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).