2-cyclopropyl-1-[(1-methylcyclopentyl)methyl]benzimidazol-5-amine

C17H23N3 — CID 63830686

IUPAC2-cyclopropyl-1-[(1-methylcyclopentyl)methyl]benzimidazol-5-amine
SMILESCC1(Cn2c(C3CC3)nc3cc(N)ccc32)CCCC1
InChIInChI=1S/C17H23N3/c1-17(8-2-3-9-17)11-20-15-7-6-13(18)10-14(15)19-16(20)12-4-5-12/h6-7,10,12H,2-5,8-9,11,18H2,1H3
InChIKeyZFZDNSZPGLEQTQ-UHFFFAOYSA-N
MW269.39 g/mol
LogP4.08
Rot. Bonds3

About 2-cyclopropyl-1-[(1-methylcyclopentyl)methyl]benzimidazol-5-amine

2-cyclopropyl-1-[(1-methylcyclopentyl)methyl]benzimidazol-5-amine (PubChem CID 63830686) has the molecular formula C17H23N3 and a molecular weight of 269.39 g/mol. Its IUPAC name is 2-cyclopropyl-1-[(1-methylcyclopentyl)methyl]benzimidazol-5-amine.

Molecular Properties

Compound Name2-cyclopropyl-1-[(1-methylcyclopentyl)methyl]benzimidazol-5-amine
PubChem CID63830686
Molecular FormulaC17H23N3
Molecular Weight269.39 g/mol
Exact Mass269.19
IUPAC Name2-cyclopropyl-1-[(1-methylcyclopentyl)methyl]benzimidazol-5-amine
SMILESCC1(Cn2c(C3CC3)nc3cc(N)ccc32)CCCC1
InChIInChI=1S/C17H23N3/c1-17(8-2-3-9-17)11-20-15-7-6-13(18)10-14(15)19-16(20)12-4-5-12/h6-7,10,12H,2-5,8-9,11,18H2,1H3
InChIKeyZFZDNSZPGLEQTQ-UHFFFAOYSA-N
XLogP4.08
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.39
LogP ≤ 54.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-methyl-1-[(1-methylcyclopentyl)methyl]benzimidazol-5-amine
CID 63830322
2-cyclopropyl-1-[(2,2,3,3-tetramethylcyclopropyl)methyl]benzimidazol-5-amine
CID 79360961
2-tert-butyl-1-[(1-methylcyclopentyl)methyl]benzimidazol-5-amine
CID 63830504
2-cyclopentyl-1-ethylbenzimidazol-5-amine
CID 82391011
2-cyclopropyl-1-[(1,1-dioxothiolan-2-yl)methyl]benzimidazol-5-amine
CID 81042244
2-cyclopropyl-1-(2-methylsulfanylethyl)benzimidazol-5-amine
CID 63958490
2-cyclopentyl-1-(2-methylpropyl)benzimidazol-5-amine
CID 82380447
2-cyclopropyl-1-(2,2-difluoroethyl)benzimidazol-5-amine
CID 113304084
2-cyclopropyl-1-(2-piperidin-1-ylethyl)benzimidazol-5-amine
CID 62507722
2-cyclopropyl-1-(3,3-dimethylcyclopentyl)benzimidazol-5-amine
CID 114541150
2-cyclopropyl-1-(2-propan-2-yloxyethyl)benzimidazol-5-amine
CID 104765893
2-cyclopropyl-1-(thiolan-3-ylmethyl)benzimidazol-5-amine
CID 107298291

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-1-[(1-methylcyclopentyl)methyl]benzimidazol-5-amine?
The IUPAC name of 2-cyclopropyl-1-[(1-methylcyclopentyl)methyl]benzimidazol-5-amine (CID 63830686) is 2-cyclopropyl-1-[(1-methylcyclopentyl)methyl]benzimidazol-5-amine.
What is the SMILES notation for 2-cyclopropyl-1-[(1-methylcyclopentyl)methyl]benzimidazol-5-amine?
The canonical SMILES for 2-cyclopropyl-1-[(1-methylcyclopentyl)methyl]benzimidazol-5-amine is CC1(Cn2c(C3CC3)nc3cc(N)ccc32)CCCC1.
What is the InChIKey of 2-cyclopropyl-1-[(1-methylcyclopentyl)methyl]benzimidazol-5-amine?
The InChIKey is ZFZDNSZPGLEQTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3/c1-17(8-2-3-9-17)11-20-15-7-6-13(18)10-14(15)19-16(20)12-4-5-12/h6-7,10,12H,2-5,8-9,11,18H2,1H3.
What are the key properties of 2-cyclopropyl-1-[(1-methylcyclopentyl)methyl]benzimidazol-5-amine?
2-cyclopropyl-1-[(1-methylcyclopentyl)methyl]benzimidazol-5-amine has a molecular weight of 269.39 g/mol, XLogP of 4.08, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-1-[(1-methylcyclopentyl)methyl]benzimidazol-5-amine is sourced from PubChem (CID 63830686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).