1-(cyclopropylmethyl)-2-[(5-ethoxy-2-pyridinyl)methyl]-N,N-diethylbenzimidazole-5-carboxamide

C24H30N4O2 — CID 44561308

IUPAC1-(cyclopropylmethyl)-2-[(5-ethoxy-2-pyridinyl)methyl]-N,N-diethylbenzimidazole-5-carboxamide
SMILESCCOc1ccc(Cc2nc3cc(C(=O)N(CC)CC)ccc3n2CC2CC2)nc1
InChIInChI=1S/C24H30N4O2/c1-4-27(5-2)24(29)18-9-12-22-21(13-18)26-23(28(22)16-17-7-8-17)14-19-10-11-20(15-25-19)30-6-3/h9-13,15,17H,4-8,14,16H2,1-3H3
InChIKeyRJYQAFGYQJXSBT-UHFFFAOYSA-N
MW406.53 g/mol
LogP4.31
Rot. Bonds9

About 1-(cyclopropylmethyl)-2-[(5-ethoxy-2-pyridinyl)methyl]-N,N-diethylbenzimidazole-5-carboxamide

1-(cyclopropylmethyl)-2-[(5-ethoxy-2-pyridinyl)methyl]-N,N-diethylbenzimidazole-5-carboxamide (PubChem CID 44561308) has the molecular formula C24H30N4O2 and a molecular weight of 406.53 g/mol. Its IUPAC name is 1-(cyclopropylmethyl)-2-[(5-ethoxy-2-pyridinyl)methyl]-N,N-diethylbenzimidazole-5-carboxamide.

Molecular Properties

Compound Name1-(cyclopropylmethyl)-2-[(5-ethoxy-2-pyridinyl)methyl]-N,N-diethylbenzimidazole-5-carboxamide
PubChem CID44561308
Molecular FormulaC24H30N4O2
Molecular Weight406.53 g/mol
Exact Mass406.24
IUPAC Name1-(cyclopropylmethyl)-2-[(5-ethoxy-2-pyridinyl)methyl]-N,N-diethylbenzimidazole-5-carboxamide
SMILESCCOc1ccc(Cc2nc3cc(C(=O)N(CC)CC)ccc3n2CC2CC2)nc1
InChIInChI=1S/C24H30N4O2/c1-4-27(5-2)24(29)18-9-12-22-21(13-18)26-23(28(22)16-17-7-8-17)14-19-10-11-20(15-25-19)30-6-3/h9-13,15,17H,4-8,14,16H2,1-3H3
InChIKeyRJYQAFGYQJXSBT-UHFFFAOYSA-N
XLogP4.31
TPSA60.25 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.53
LogP ≤ 54.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(cyclopropylmethyl)-2-[(5-ethoxy-2-pyridinyl)methyl]-N,N-diethylbenzimidazole-5-carboxamide?
The IUPAC name of 1-(cyclopropylmethyl)-2-[(5-ethoxy-2-pyridinyl)methyl]-N,N-diethylbenzimidazole-5-carboxamide (CID 44561308) is 1-(cyclopropylmethyl)-2-[(5-ethoxy-2-pyridinyl)methyl]-N,N-diethylbenzimidazole-5-carboxamide.
What is the SMILES notation for 1-(cyclopropylmethyl)-2-[(5-ethoxy-2-pyridinyl)methyl]-N,N-diethylbenzimidazole-5-carboxamide?
The canonical SMILES for 1-(cyclopropylmethyl)-2-[(5-ethoxy-2-pyridinyl)methyl]-N,N-diethylbenzimidazole-5-carboxamide is CCOc1ccc(Cc2nc3cc(C(=O)N(CC)CC)ccc3n2CC2CC2)nc1.
What is the InChIKey of 1-(cyclopropylmethyl)-2-[(5-ethoxy-2-pyridinyl)methyl]-N,N-diethylbenzimidazole-5-carboxamide?
The InChIKey is RJYQAFGYQJXSBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30N4O2/c1-4-27(5-2)24(29)18-9-12-22-21(13-18)26-23(28(22)16-17-7-8-17)14-19-10-11-20(15-25-19)30-6-3/h9-13,15,17H,4-8,14,16H2,1-3H3.
What are the key properties of 1-(cyclopropylmethyl)-2-[(5-ethoxy-2-pyridinyl)methyl]-N,N-diethylbenzimidazole-5-carboxamide?
1-(cyclopropylmethyl)-2-[(5-ethoxy-2-pyridinyl)methyl]-N,N-diethylbenzimidazole-5-carboxamide has a molecular weight of 406.53 g/mol, XLogP of 4.31, 9 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclopropylmethyl)-2-[(5-ethoxy-2-pyridinyl)methyl]-N,N-diethylbenzimidazole-5-carboxamide is sourced from PubChem (CID 44561308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).