1-(3-amino-3-oxopropyl)-2-benzamido-N-cyclohexyl-N-ethylbenzimidazole-5-carboxamide

C26H31N5O3 — CID 10217158

IUPAC1-(3-amino-3-oxopropyl)-2-benzamido-N-cyclohexyl-N-ethylbenzimidazole-5-carboxamide
SMILESCCN(C(=O)c1ccc2c(c1)nc(NC(=O)c1ccccc1)n2CCC(N)=O)C1CCCCC1
InChIInChI=1S/C26H31N5O3/c1-2-30(20-11-7-4-8-12-20)25(34)19-13-14-22-21(17-19)28-26(31(22)16-15-23(27)32)29-24(33)18-9-5-3-6-10-18/h3,5-6,9-10,13-14,17,20H,2,4,7-8,11-12,15-16H2,1H3,(H2,27,32)(H,28,29,33)
InChIKeyRDBFGHLYQLYGNT-UHFFFAOYSA-N
MW461.57 g/mol
LogP3.96
Rot. Bonds8

About 1-(3-amino-3-oxopropyl)-2-benzamido-N-cyclohexyl-N-ethylbenzimidazole-5-carboxamide

1-(3-amino-3-oxopropyl)-2-benzamido-N-cyclohexyl-N-ethylbenzimidazole-5-carboxamide (PubChem CID 10217158) has the molecular formula C26H31N5O3 and a molecular weight of 461.57 g/mol. Its IUPAC name is 1-(3-amino-3-oxopropyl)-2-benzamido-N-cyclohexyl-N-ethylbenzimidazole-5-carboxamide.

Molecular Properties

Compound Name1-(3-amino-3-oxopropyl)-2-benzamido-N-cyclohexyl-N-ethylbenzimidazole-5-carboxamide
PubChem CID10217158
Molecular FormulaC26H31N5O3
Molecular Weight461.57 g/mol
Exact Mass461.24
IUPAC Name1-(3-amino-3-oxopropyl)-2-benzamido-N-cyclohexyl-N-ethylbenzimidazole-5-carboxamide
SMILESCCN(C(=O)c1ccc2c(c1)nc(NC(=O)c1ccccc1)n2CCC(N)=O)C1CCCCC1
InChIInChI=1S/C26H31N5O3/c1-2-30(20-11-7-4-8-12-20)25(34)19-13-14-22-21(17-19)28-26(31(22)16-15-23(27)32)29-24(33)18-9-5-3-6-10-18/h3,5-6,9-10,13-14,17,20H,2,4,7-8,11-12,15-16H2,1H3,(H2,27,32)(H,28,29,33)
InChIKeyRDBFGHLYQLYGNT-UHFFFAOYSA-N
XLogP3.96
TPSA110.32 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500461.57
LogP ≤ 53.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(3-amino-3-oxopropyl)-2-benzamido-N-cyclohexyl-N-ethylbenzimidazole-5-carboxamide?
The IUPAC name of 1-(3-amino-3-oxopropyl)-2-benzamido-N-cyclohexyl-N-ethylbenzimidazole-5-carboxamide (CID 10217158) is 1-(3-amino-3-oxopropyl)-2-benzamido-N-cyclohexyl-N-ethylbenzimidazole-5-carboxamide.
What is the SMILES notation for 1-(3-amino-3-oxopropyl)-2-benzamido-N-cyclohexyl-N-ethylbenzimidazole-5-carboxamide?
The canonical SMILES for 1-(3-amino-3-oxopropyl)-2-benzamido-N-cyclohexyl-N-ethylbenzimidazole-5-carboxamide is CCN(C(=O)c1ccc2c(c1)nc(NC(=O)c1ccccc1)n2CCC(N)=O)C1CCCCC1.
What is the InChIKey of 1-(3-amino-3-oxopropyl)-2-benzamido-N-cyclohexyl-N-ethylbenzimidazole-5-carboxamide?
The InChIKey is RDBFGHLYQLYGNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H31N5O3/c1-2-30(20-11-7-4-8-12-20)25(34)19-13-14-22-21(17-19)28-26(31(22)16-15-23(27)32)29-24(33)18-9-5-3-6-10-18/h3,5-6,9-10,13-14,17,20H,2,4,7-8,11-12,15-16H2,1H3,(H2,27,32)(H,28,29,33).
What are the key properties of 1-(3-amino-3-oxopropyl)-2-benzamido-N-cyclohexyl-N-ethylbenzimidazole-5-carboxamide?
1-(3-amino-3-oxopropyl)-2-benzamido-N-cyclohexyl-N-ethylbenzimidazole-5-carboxamide has a molecular weight of 461.57 g/mol, XLogP of 3.96, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-amino-3-oxopropyl)-2-benzamido-N-cyclohexyl-N-ethylbenzimidazole-5-carboxamide is sourced from PubChem (CID 10217158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).