[3-methyl-2-(1-phenylcyclopropyl)benzimidazol-5-yl]methanamine

C18H19N3 — CID 104713310

IUPAC[3-methyl-2-(1-phenylcyclopropyl)benzimidazol-5-yl]methanamine
SMILESCn1c(C2(c3ccccc3)CC2)nc2ccc(CN)cc21
InChIInChI=1S/C18H19N3/c1-21-16-11-13(12-19)7-8-15(16)20-17(21)18(9-10-18)14-5-3-2-4-6-14/h2-8,11H,9-10,12,19H2,1H3
InChIKeyBCNAMWJJQQUYRX-UHFFFAOYSA-N
MW277.37 g/mol
LogP3.11
Rot. Bonds3

About [3-methyl-2-(1-phenylcyclopropyl)benzimidazol-5-yl]methanamine

[3-methyl-2-(1-phenylcyclopropyl)benzimidazol-5-yl]methanamine (PubChem CID 104713310) has the molecular formula C18H19N3 and a molecular weight of 277.37 g/mol. Its IUPAC name is [3-methyl-2-(1-phenylcyclopropyl)benzimidazol-5-yl]methanamine.

Molecular Properties

Compound Name[3-methyl-2-(1-phenylcyclopropyl)benzimidazol-5-yl]methanamine
PubChem CID104713310
Molecular FormulaC18H19N3
Molecular Weight277.37 g/mol
Exact Mass277.16
IUPAC Name[3-methyl-2-(1-phenylcyclopropyl)benzimidazol-5-yl]methanamine
SMILESCn1c(C2(c3ccccc3)CC2)nc2ccc(CN)cc21
InChIInChI=1S/C18H19N3/c1-21-16-11-13(12-19)7-8-15(16)20-17(21)18(9-10-18)14-5-3-2-4-6-14/h2-8,11H,9-10,12,19H2,1H3
InChIKeyBCNAMWJJQQUYRX-UHFFFAOYSA-N
XLogP3.11
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.37
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [3-methyl-2-(1-phenylcyclopropyl)benzimidazol-5-yl]methanamine?
The IUPAC name of [3-methyl-2-(1-phenylcyclopropyl)benzimidazol-5-yl]methanamine (CID 104713310) is [3-methyl-2-(1-phenylcyclopropyl)benzimidazol-5-yl]methanamine.
What is the SMILES notation for [3-methyl-2-(1-phenylcyclopropyl)benzimidazol-5-yl]methanamine?
The canonical SMILES for [3-methyl-2-(1-phenylcyclopropyl)benzimidazol-5-yl]methanamine is Cn1c(C2(c3ccccc3)CC2)nc2ccc(CN)cc21.
What is the InChIKey of [3-methyl-2-(1-phenylcyclopropyl)benzimidazol-5-yl]methanamine?
The InChIKey is BCNAMWJJQQUYRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3/c1-21-16-11-13(12-19)7-8-15(16)20-17(21)18(9-10-18)14-5-3-2-4-6-14/h2-8,11H,9-10,12,19H2,1H3.
What are the key properties of [3-methyl-2-(1-phenylcyclopropyl)benzimidazol-5-yl]methanamine?
[3-methyl-2-(1-phenylcyclopropyl)benzimidazol-5-yl]methanamine has a molecular weight of 277.37 g/mol, XLogP of 3.11, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-methyl-2-(1-phenylcyclopropyl)benzimidazol-5-yl]methanamine is sourced from PubChem (CID 104713310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).