1-(3-amino-3-oxopropyl)-N-cyclohexyl-2-[(4-fluorobenzoyl)amino]-N-methylbenzimidazole-5-carboxamide

C25H28FN5O3 — CID 10151801

IUPAC1-(3-amino-3-oxopropyl)-N-cyclohexyl-2-[(4-fluorobenzoyl)amino]-N-methylbenzimidazole-5-carboxamide
SMILESCN(C(=O)c1ccc2c(c1)nc(NC(=O)c1ccc(F)cc1)n2CCC(N)=O)C1CCCCC1
InChIInChI=1S/C25H28FN5O3/c1-30(19-5-3-2-4-6-19)24(34)17-9-12-21-20(15-17)28-25(31(21)14-13-22(27)32)29-23(33)16-7-10-18(26)11-8-16/h7-12,15,19H,2-6,13-14H2,1H3,(H2,27,32)(H,28,29,33)
InChIKeyIYYJMJYGTSRZFT-UHFFFAOYSA-N
MW465.53 g/mol
LogP3.71
Rot. Bonds7

About 1-(3-amino-3-oxopropyl)-N-cyclohexyl-2-[(4-fluorobenzoyl)amino]-N-methylbenzimidazole-5-carboxamide

1-(3-amino-3-oxopropyl)-N-cyclohexyl-2-[(4-fluorobenzoyl)amino]-N-methylbenzimidazole-5-carboxamide (PubChem CID 10151801) has the molecular formula C25H28FN5O3 and a molecular weight of 465.53 g/mol. Its IUPAC name is 1-(3-amino-3-oxopropyl)-N-cyclohexyl-2-[(4-fluorobenzoyl)amino]-N-methylbenzimidazole-5-carboxamide.

Molecular Properties

Compound Name1-(3-amino-3-oxopropyl)-N-cyclohexyl-2-[(4-fluorobenzoyl)amino]-N-methylbenzimidazole-5-carboxamide
PubChem CID10151801
Molecular FormulaC25H28FN5O3
Molecular Weight465.53 g/mol
Exact Mass465.22
IUPAC Name1-(3-amino-3-oxopropyl)-N-cyclohexyl-2-[(4-fluorobenzoyl)amino]-N-methylbenzimidazole-5-carboxamide
SMILESCN(C(=O)c1ccc2c(c1)nc(NC(=O)c1ccc(F)cc1)n2CCC(N)=O)C1CCCCC1
InChIInChI=1S/C25H28FN5O3/c1-30(19-5-3-2-4-6-19)24(34)17-9-12-21-20(15-17)28-25(31(21)14-13-22(27)32)29-23(33)16-7-10-18(26)11-8-16/h7-12,15,19H,2-6,13-14H2,1H3,(H2,27,32)(H,28,29,33)
InChIKeyIYYJMJYGTSRZFT-UHFFFAOYSA-N
XLogP3.71
TPSA110.32 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500465.53
LogP ≤ 53.71
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)-N-cyclohexyl-2-[(4-fluorobenzoyl)amino]-N-methylbenzimidazole-5-carboxamide?
The IUPAC name of 1-(3-amino-3-oxopropyl)-N-cyclohexyl-2-[(4-fluorobenzoyl)amino]-N-methylbenzimidazole-5-carboxamide (CID 10151801) is 1-(3-amino-3-oxopropyl)-N-cyclohexyl-2-[(4-fluorobenzoyl)amino]-N-methylbenzimidazole-5-carboxamide.
What is the SMILES notation for 1-(3-amino-3-oxopropyl)-N-cyclohexyl-2-[(4-fluorobenzoyl)amino]-N-methylbenzimidazole-5-carboxamide?
The canonical SMILES for 1-(3-amino-3-oxopropyl)-N-cyclohexyl-2-[(4-fluorobenzoyl)amino]-N-methylbenzimidazole-5-carboxamide is CN(C(=O)c1ccc2c(c1)nc(NC(=O)c1ccc(F)cc1)n2CCC(N)=O)C1CCCCC1.
What is the InChIKey of 1-(3-amino-3-oxopropyl)-N-cyclohexyl-2-[(4-fluorobenzoyl)amino]-N-methylbenzimidazole-5-carboxamide?
The InChIKey is IYYJMJYGTSRZFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28FN5O3/c1-30(19-5-3-2-4-6-19)24(34)17-9-12-21-20(15-17)28-25(31(21)14-13-22(27)32)29-23(33)16-7-10-18(26)11-8-16/h7-12,15,19H,2-6,13-14H2,1H3,(H2,27,32)(H,28,29,33).
What are the key properties of 1-(3-amino-3-oxopropyl)-N-cyclohexyl-2-[(4-fluorobenzoyl)amino]-N-methylbenzimidazole-5-carboxamide?
1-(3-amino-3-oxopropyl)-N-cyclohexyl-2-[(4-fluorobenzoyl)amino]-N-methylbenzimidazole-5-carboxamide has a molecular weight of 465.53 g/mol, XLogP of 3.71, 7 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)-N-cyclohexyl-2-[(4-fluorobenzoyl)amino]-N-methylbenzimidazole-5-carboxamide is sourced from PubChem (CID 10151801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).