2-benzyl-1-cyclopropylbenzimidazol-5-amine

C17H17N3 — CID 82486059

IUPAC2-benzyl-1-cyclopropylbenzimidazol-5-amine
SMILESNc1ccc2c(c1)nc(Cc1ccccc1)n2C1CC1
InChIInChI=1S/C17H17N3/c18-13-6-9-16-15(11-13)19-17(20(16)14-7-8-14)10-12-4-2-1-3-5-12/h1-6,9,11,14H,7-8,10,18H2
InChIKeyRFDNPVLOUJGXLZ-UHFFFAOYSA-N
MW263.34 g/mol
LogP3.54
Rot. Bonds3

About 2-benzyl-1-cyclopropylbenzimidazol-5-amine

2-benzyl-1-cyclopropylbenzimidazol-5-amine (PubChem CID 82486059) has the molecular formula C17H17N3 and a molecular weight of 263.34 g/mol. Its IUPAC name is 2-benzyl-1-cyclopropylbenzimidazol-5-amine.

Molecular Properties

Compound Name2-benzyl-1-cyclopropylbenzimidazol-5-amine
PubChem CID82486059
Molecular FormulaC17H17N3
Molecular Weight263.34 g/mol
Exact Mass263.14
IUPAC Name2-benzyl-1-cyclopropylbenzimidazol-5-amine
SMILESNc1ccc2c(c1)nc(Cc1ccccc1)n2C1CC1
InChIInChI=1S/C17H17N3/c18-13-6-9-16-15(11-13)19-17(20(16)14-7-8-14)10-12-4-2-1-3-5-12/h1-6,9,11,14H,7-8,10,18H2
InChIKeyRFDNPVLOUJGXLZ-UHFFFAOYSA-N
XLogP3.54
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 53.54
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-benzyl-1-cyclopropylbenzimidazol-5-yl)methanamine
CID 65037851
4-[(1-cyclopropyl-5-fluorobenzimidazol-2-yl)methyl]aniline
CID 60785645
1-cyclopentyl-2-(2,2-dimethylpropyl)benzimidazol-5-amine
CID 96668227
[1-cyclopropyl-2-(pyridin-3-ylmethyl)benzimidazol-5-yl]methanamine
CID 114290065
1-cycloheptyl-2-propylbenzimidazol-5-amine
CID 62507199
1-cyclohexyl-2-propylbenzimidazol-5-amine
CID 62507665
1-cyclooctyl-2-propylbenzimidazol-5-amine
CID 63497748
1-(oxan-4-yl)-2-propylbenzimidazol-5-amine
CID 62506385
1-(3-methylcyclopentyl)-2-propylbenzimidazol-5-amine
CID 114541143
1-(4-ethylcyclohexyl)-2-methylbenzimidazol-5-amine
CID 62506898
2-ethyl-1-(3-ethylcyclohexyl)benzimidazol-5-amine
CID 64742442
1-cyclohexylbenzimidazole-2,5-diamine
CID 84793894

Frequently Asked Questions

What is the IUPAC name of 2-benzyl-1-cyclopropylbenzimidazol-5-amine?
The IUPAC name of 2-benzyl-1-cyclopropylbenzimidazol-5-amine (CID 82486059) is 2-benzyl-1-cyclopropylbenzimidazol-5-amine.
What is the SMILES notation for 2-benzyl-1-cyclopropylbenzimidazol-5-amine?
The canonical SMILES for 2-benzyl-1-cyclopropylbenzimidazol-5-amine is Nc1ccc2c(c1)nc(Cc1ccccc1)n2C1CC1.
What is the InChIKey of 2-benzyl-1-cyclopropylbenzimidazol-5-amine?
The InChIKey is RFDNPVLOUJGXLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3/c18-13-6-9-16-15(11-13)19-17(20(16)14-7-8-14)10-12-4-2-1-3-5-12/h1-6,9,11,14H,7-8,10,18H2.
What are the key properties of 2-benzyl-1-cyclopropylbenzimidazol-5-amine?
2-benzyl-1-cyclopropylbenzimidazol-5-amine has a molecular weight of 263.34 g/mol, XLogP of 3.54, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzyl-1-cyclopropylbenzimidazol-5-amine is sourced from PubChem (CID 82486059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).