3-(1-cyclopropyl-5-methylbenzimidazol-2-yl)-4-methylaniline

C18H19N3 — CID 63652621

IUPAC3-(1-cyclopropyl-5-methylbenzimidazol-2-yl)-4-methylaniline
SMILESCc1ccc2c(c1)nc(-c1cc(N)ccc1C)n2C1CC1
InChIInChI=1S/C18H19N3/c1-11-3-8-17-16(9-11)20-18(21(17)14-6-7-14)15-10-13(19)5-4-12(15)2/h3-5,8-10,14H,6-7,19H2,1-2H3
InChIKeyVZXIEVBMNVCQBF-UHFFFAOYSA-N
MW277.37 g/mol
LogP4.24
Rot. Bonds2

About 3-(1-cyclopropyl-5-methylbenzimidazol-2-yl)-4-methylaniline

3-(1-cyclopropyl-5-methylbenzimidazol-2-yl)-4-methylaniline (PubChem CID 63652621) has the molecular formula C18H19N3 and a molecular weight of 277.37 g/mol. Its IUPAC name is 3-(1-cyclopropyl-5-methylbenzimidazol-2-yl)-4-methylaniline.

Molecular Properties

Compound Name3-(1-cyclopropyl-5-methylbenzimidazol-2-yl)-4-methylaniline
PubChem CID63652621
Molecular FormulaC18H19N3
Molecular Weight277.37 g/mol
Exact Mass277.16
IUPAC Name3-(1-cyclopropyl-5-methylbenzimidazol-2-yl)-4-methylaniline
SMILESCc1ccc2c(c1)nc(-c1cc(N)ccc1C)n2C1CC1
InChIInChI=1S/C18H19N3/c1-11-3-8-17-16(9-11)20-18(21(17)14-6-7-14)15-10-13(19)5-4-12(15)2/h3-5,8-10,14H,6-7,19H2,1-2H3
InChIKeyVZXIEVBMNVCQBF-UHFFFAOYSA-N
XLogP4.24
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.37
LogP ≤ 54.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-(1-cyclopropyl-5-methylbenzimidazol-2-yl)-4-methylaniline?
The IUPAC name of 3-(1-cyclopropyl-5-methylbenzimidazol-2-yl)-4-methylaniline (CID 63652621) is 3-(1-cyclopropyl-5-methylbenzimidazol-2-yl)-4-methylaniline.
What is the SMILES notation for 3-(1-cyclopropyl-5-methylbenzimidazol-2-yl)-4-methylaniline?
The canonical SMILES for 3-(1-cyclopropyl-5-methylbenzimidazol-2-yl)-4-methylaniline is Cc1ccc2c(c1)nc(-c1cc(N)ccc1C)n2C1CC1.
What is the InChIKey of 3-(1-cyclopropyl-5-methylbenzimidazol-2-yl)-4-methylaniline?
The InChIKey is VZXIEVBMNVCQBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3/c1-11-3-8-17-16(9-11)20-18(21(17)14-6-7-14)15-10-13(19)5-4-12(15)2/h3-5,8-10,14H,6-7,19H2,1-2H3.
What are the key properties of 3-(1-cyclopropyl-5-methylbenzimidazol-2-yl)-4-methylaniline?
3-(1-cyclopropyl-5-methylbenzimidazol-2-yl)-4-methylaniline has a molecular weight of 277.37 g/mol, XLogP of 4.24, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-cyclopropyl-5-methylbenzimidazol-2-yl)-4-methylaniline is sourced from PubChem (CID 63652621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).