1-(cyclopropylmethyl)-2-[(4-ethoxyphenyl)methyl]-N-ethylbenzimidazole-5-carboxamide

C23H27N3O2 — CID 22181345

IUPAC1-(cyclopropylmethyl)-2-[(4-ethoxyphenyl)methyl]-N-ethylbenzimidazole-5-carboxamide
SMILESCCNC(=O)c1ccc2c(c1)nc(Cc1ccc(OCC)cc1)n2CC1CC1
InChIInChI=1S/C23H27N3O2/c1-3-24-23(27)18-9-12-21-20(14-18)25-22(26(21)15-17-5-6-17)13-16-7-10-19(11-8-16)28-4-2/h7-12,14,17H,3-6,13,15H2,1-2H3,(H,24,27)
InChIKeyIKMYJSYOOYHKEF-UHFFFAOYSA-N
MW377.49 g/mol
LogP4.19
Rot. Bonds8

About 1-(cyclopropylmethyl)-2-[(4-ethoxyphenyl)methyl]-N-ethylbenzimidazole-5-carboxamide

1-(cyclopropylmethyl)-2-[(4-ethoxyphenyl)methyl]-N-ethylbenzimidazole-5-carboxamide (PubChem CID 22181345) has the molecular formula C23H27N3O2 and a molecular weight of 377.49 g/mol. Its IUPAC name is 1-(cyclopropylmethyl)-2-[(4-ethoxyphenyl)methyl]-N-ethylbenzimidazole-5-carboxamide.

Molecular Properties

Compound Name1-(cyclopropylmethyl)-2-[(4-ethoxyphenyl)methyl]-N-ethylbenzimidazole-5-carboxamide
PubChem CID22181345
Molecular FormulaC23H27N3O2
Molecular Weight377.49 g/mol
Exact Mass377.21
IUPAC Name1-(cyclopropylmethyl)-2-[(4-ethoxyphenyl)methyl]-N-ethylbenzimidazole-5-carboxamide
SMILESCCNC(=O)c1ccc2c(c1)nc(Cc1ccc(OCC)cc1)n2CC1CC1
InChIInChI=1S/C23H27N3O2/c1-3-24-23(27)18-9-12-21-20(14-18)25-22(26(21)15-17-5-6-17)13-16-7-10-19(11-8-16)28-4-2/h7-12,14,17H,3-6,13,15H2,1-2H3,(H,24,27)
InChIKeyIKMYJSYOOYHKEF-UHFFFAOYSA-N
XLogP4.19
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.49
LogP ≤ 54.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(cyclopropylmethyl)-2-[(4-ethoxyphenyl)methyl]-N-ethylbenzimidazole-5-carboxamide?
The IUPAC name of 1-(cyclopropylmethyl)-2-[(4-ethoxyphenyl)methyl]-N-ethylbenzimidazole-5-carboxamide (CID 22181345) is 1-(cyclopropylmethyl)-2-[(4-ethoxyphenyl)methyl]-N-ethylbenzimidazole-5-carboxamide.
What is the SMILES notation for 1-(cyclopropylmethyl)-2-[(4-ethoxyphenyl)methyl]-N-ethylbenzimidazole-5-carboxamide?
The canonical SMILES for 1-(cyclopropylmethyl)-2-[(4-ethoxyphenyl)methyl]-N-ethylbenzimidazole-5-carboxamide is CCNC(=O)c1ccc2c(c1)nc(Cc1ccc(OCC)cc1)n2CC1CC1.
What is the InChIKey of 1-(cyclopropylmethyl)-2-[(4-ethoxyphenyl)methyl]-N-ethylbenzimidazole-5-carboxamide?
The InChIKey is IKMYJSYOOYHKEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N3O2/c1-3-24-23(27)18-9-12-21-20(14-18)25-22(26(21)15-17-5-6-17)13-16-7-10-19(11-8-16)28-4-2/h7-12,14,17H,3-6,13,15H2,1-2H3,(H,24,27).
What are the key properties of 1-(cyclopropylmethyl)-2-[(4-ethoxyphenyl)methyl]-N-ethylbenzimidazole-5-carboxamide?
1-(cyclopropylmethyl)-2-[(4-ethoxyphenyl)methyl]-N-ethylbenzimidazole-5-carboxamide has a molecular weight of 377.49 g/mol, XLogP of 4.19, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclopropylmethyl)-2-[(4-ethoxyphenyl)methyl]-N-ethylbenzimidazole-5-carboxamide is sourced from PubChem (CID 22181345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).