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

C25H31N3O2 — CID 22181435

IUPAC1-(cyclopropylmethyl)-2-[(4-ethoxyphenyl)methyl]-N,N-diethylbenzimidazole-5-carboxamide
SMILESCCOc1ccc(Cc2nc3cc(C(=O)N(CC)CC)ccc3n2CC2CC2)cc1
InChIInChI=1S/C25H31N3O2/c1-4-27(5-2)25(29)20-11-14-23-22(16-20)26-24(28(23)17-19-7-8-19)15-18-9-12-21(13-10-18)30-6-3/h9-14,16,19H,4-8,15,17H2,1-3H3
InChIKeyDNLUXEPSRJHLRC-UHFFFAOYSA-N
MW405.54 g/mol
LogP4.92
Rot. Bonds9

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

1-(cyclopropylmethyl)-2-[(4-ethoxyphenyl)methyl]-N,N-diethylbenzimidazole-5-carboxamide (PubChem CID 22181435) has the molecular formula C25H31N3O2 and a molecular weight of 405.54 g/mol. Its IUPAC name is 1-(cyclopropylmethyl)-2-[(4-ethoxyphenyl)methyl]-N,N-diethylbenzimidazole-5-carboxamide.

Molecular Properties

Compound Name1-(cyclopropylmethyl)-2-[(4-ethoxyphenyl)methyl]-N,N-diethylbenzimidazole-5-carboxamide
PubChem CID22181435
Molecular FormulaC25H31N3O2
Molecular Weight405.54 g/mol
Exact Mass405.24
IUPAC Name1-(cyclopropylmethyl)-2-[(4-ethoxyphenyl)methyl]-N,N-diethylbenzimidazole-5-carboxamide
SMILESCCOc1ccc(Cc2nc3cc(C(=O)N(CC)CC)ccc3n2CC2CC2)cc1
InChIInChI=1S/C25H31N3O2/c1-4-27(5-2)25(29)20-11-14-23-22(16-20)26-24(28(23)17-19-7-8-19)15-18-9-12-21(13-10-18)30-6-3/h9-14,16,19H,4-8,15,17H2,1-3H3
InChIKeyDNLUXEPSRJHLRC-UHFFFAOYSA-N
XLogP4.92
TPSA47.36 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.54
LogP ≤ 54.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(cyclopropylmethyl)-2-[(4-ethoxyphenyl)methyl]-N,N-diethylbenzimidazole-5-carboxamide?
The IUPAC name of 1-(cyclopropylmethyl)-2-[(4-ethoxyphenyl)methyl]-N,N-diethylbenzimidazole-5-carboxamide (CID 22181435) is 1-(cyclopropylmethyl)-2-[(4-ethoxyphenyl)methyl]-N,N-diethylbenzimidazole-5-carboxamide.
What is the SMILES notation for 1-(cyclopropylmethyl)-2-[(4-ethoxyphenyl)methyl]-N,N-diethylbenzimidazole-5-carboxamide?
The canonical SMILES for 1-(cyclopropylmethyl)-2-[(4-ethoxyphenyl)methyl]-N,N-diethylbenzimidazole-5-carboxamide is CCOc1ccc(Cc2nc3cc(C(=O)N(CC)CC)ccc3n2CC2CC2)cc1.
What is the InChIKey of 1-(cyclopropylmethyl)-2-[(4-ethoxyphenyl)methyl]-N,N-diethylbenzimidazole-5-carboxamide?
The InChIKey is DNLUXEPSRJHLRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H31N3O2/c1-4-27(5-2)25(29)20-11-14-23-22(16-20)26-24(28(23)17-19-7-8-19)15-18-9-12-21(13-10-18)30-6-3/h9-14,16,19H,4-8,15,17H2,1-3H3.
What are the key properties of 1-(cyclopropylmethyl)-2-[(4-ethoxyphenyl)methyl]-N,N-diethylbenzimidazole-5-carboxamide?
1-(cyclopropylmethyl)-2-[(4-ethoxyphenyl)methyl]-N,N-diethylbenzimidazole-5-carboxamide has a molecular weight of 405.54 g/mol, XLogP of 4.92, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclopropylmethyl)-2-[(4-ethoxyphenyl)methyl]-N,N-diethylbenzimidazole-5-carboxamide is sourced from PubChem (CID 22181435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).