N-(3-cyclopentylpropyl)-1-methylbenzimidazol-2-amine

C16H23N3 — CID 106012665

IUPACN-(3-cyclopentylpropyl)-1-methylbenzimidazol-2-amine
SMILESCn1c(NCCCC2CCCC2)nc2ccccc21
InChIInChI=1S/C16H23N3/c1-19-15-11-5-4-10-14(15)18-16(19)17-12-6-9-13-7-2-3-8-13/h4-5,10-11,13H,2-3,6-9,12H2,1H3,(H,17,18)
InChIKeyMJRKYKKIDFPDAY-UHFFFAOYSA-N
MW257.38 g/mol
LogP3.96
Rot. Bonds5

About N-(3-cyclopentylpropyl)-1-methylbenzimidazol-2-amine

N-(3-cyclopentylpropyl)-1-methylbenzimidazol-2-amine (PubChem CID 106012665) has the molecular formula C16H23N3 and a molecular weight of 257.38 g/mol. Its IUPAC name is N-(3-cyclopentylpropyl)-1-methylbenzimidazol-2-amine.

Molecular Properties

Compound NameN-(3-cyclopentylpropyl)-1-methylbenzimidazol-2-amine
PubChem CID106012665
Molecular FormulaC16H23N3
Molecular Weight257.38 g/mol
Exact Mass257.19
IUPAC NameN-(3-cyclopentylpropyl)-1-methylbenzimidazol-2-amine
SMILESCn1c(NCCCC2CCCC2)nc2ccccc21
InChIInChI=1S/C16H23N3/c1-19-15-11-5-4-10-14(15)18-16(19)17-12-6-9-13-7-2-3-8-13/h4-5,10-11,13H,2-3,6-9,12H2,1H3,(H,17,18)
InChIKeyMJRKYKKIDFPDAY-UHFFFAOYSA-N
XLogP3.96
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.38
LogP ≤ 53.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-cyclopropyl-N-[(1-methylbenzimidazol-2-yl)methyl]propan-1-amine
CID 115639506
N-(4-chlorobutyl)-1-methylbenzimidazol-2-amine
CID 106845045
2-[(1-methylbenzimidazol-2-yl)amino]ethanethiol
CID 21226750
5-[(1-methylbenzimidazol-2-yl)amino]pentan-2-ol
CID 107269271
N-cyclopentyl-1-methylbenzimidazol-2-amine
CID 923815
N-[4-(2-methoxyethoxy)butyl]-1-methylbenzimidazol-2-amine
CID 115735418
N-[(1-cyclopropylcyclopropyl)methyl]-1-methylbenzimidazol-2-amine
CID 103868357
4-butyl-N-(1-methylbenzimidazol-2-yl)cyclohexane-1-carboxamide
CID 3346804
2-hydroxy-2-methyl-3-[(1-methylbenzimidazol-2-yl)amino]propanoic acid
CID 122060919
4-cyclopentyl-1-(1-methylbenzimidazol-2-yl)butan-2-ol
CID 115818515
4-cyclopentyl-1-(1-methylbenzimidazol-2-yl)butan-2-amine
CID 105007641
3-cyclohexyl-N'-[2-(1-methylbenzimidazol-2-yl)acetyl]propanehydrazide
CID 24634766

Frequently Asked Questions

What is the IUPAC name of N-(3-cyclopentylpropyl)-1-methylbenzimidazol-2-amine?
The IUPAC name of N-(3-cyclopentylpropyl)-1-methylbenzimidazol-2-amine (CID 106012665) is N-(3-cyclopentylpropyl)-1-methylbenzimidazol-2-amine.
What is the SMILES notation for N-(3-cyclopentylpropyl)-1-methylbenzimidazol-2-amine?
The canonical SMILES for N-(3-cyclopentylpropyl)-1-methylbenzimidazol-2-amine is Cn1c(NCCCC2CCCC2)nc2ccccc21.
What is the InChIKey of N-(3-cyclopentylpropyl)-1-methylbenzimidazol-2-amine?
The InChIKey is MJRKYKKIDFPDAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3/c1-19-15-11-5-4-10-14(15)18-16(19)17-12-6-9-13-7-2-3-8-13/h4-5,10-11,13H,2-3,6-9,12H2,1H3,(H,17,18).
What are the key properties of N-(3-cyclopentylpropyl)-1-methylbenzimidazol-2-amine?
N-(3-cyclopentylpropyl)-1-methylbenzimidazol-2-amine has a molecular weight of 257.38 g/mol, XLogP of 3.96, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-cyclopentylpropyl)-1-methylbenzimidazol-2-amine is sourced from PubChem (CID 106012665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).