N-[(2R)-1-amino-4-methyl-1-oxopentan-2-yl]-3-(cyclohexylmethyl)-5-methyl-2-oxobenzimidazole-1-carboxamide

C22H32N4O3 — CID 57463420

IUPACN-[(2R)-1-amino-4-methyl-1-oxopentan-2-yl]-3-(cyclohexylmethyl)-5-methyl-2-oxobenzimidazole-1-carboxamide
SMILESCc1ccc2c(c1)n(CC1CCCCC1)c(=O)n2C(=O)N[C@H](CC(C)C)C(N)=O
InChIInChI=1S/C22H32N4O3/c1-14(2)11-17(20(23)27)24-21(28)26-18-10-9-15(3)12-19(18)25(22(26)29)13-16-7-5-4-6-8-16/h9-10,12,14,16-17H,4-8,11,13H2,1-3H3,(H2,23,27)(H,24,28)/t17-/m1/s1
InChIKeyZDEROVAGZPDEOZ-QGZVFWFLSA-N
MW400.52 g/mol
LogP3.15
Rot. Bonds6

About N-[(2R)-1-amino-4-methyl-1-oxopentan-2-yl]-3-(cyclohexylmethyl)-5-methyl-2-oxobenzimidazole-1-carboxamide

N-[(2R)-1-amino-4-methyl-1-oxopentan-2-yl]-3-(cyclohexylmethyl)-5-methyl-2-oxobenzimidazole-1-carboxamide (PubChem CID 57463420) has the molecular formula C22H32N4O3 and a molecular weight of 400.52 g/mol. Its IUPAC name is N-[(2R)-1-amino-4-methyl-1-oxopentan-2-yl]-3-(cyclohexylmethyl)-5-methyl-2-oxobenzimidazole-1-carboxamide.

Molecular Properties

Compound NameN-[(2R)-1-amino-4-methyl-1-oxopentan-2-yl]-3-(cyclohexylmethyl)-5-methyl-2-oxobenzimidazole-1-carboxamide
PubChem CID57463420
Molecular FormulaC22H32N4O3
Molecular Weight400.52 g/mol
Exact Mass400.25
IUPAC NameN-[(2R)-1-amino-4-methyl-1-oxopentan-2-yl]-3-(cyclohexylmethyl)-5-methyl-2-oxobenzimidazole-1-carboxamide
SMILESCc1ccc2c(c1)n(CC1CCCCC1)c(=O)n2C(=O)N[C@H](CC(C)C)C(N)=O
InChIInChI=1S/C22H32N4O3/c1-14(2)11-17(20(23)27)24-21(28)26-18-10-9-15(3)12-19(18)25(22(26)29)13-16-7-5-4-6-8-16/h9-10,12,14,16-17H,4-8,11,13H2,1-3H3,(H2,23,27)(H,24,28)/t17-/m1/s1
InChIKeyZDEROVAGZPDEOZ-QGZVFWFLSA-N
XLogP3.15
TPSA99.12 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.52
LogP ≤ 53.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(2R)-1-amino-4-methyl-1-oxopentan-2-yl]-3-(cyclohexylmethyl)-5-methyl-2-oxobenzimidazole-1-carboxamide?
The IUPAC name of N-[(2R)-1-amino-4-methyl-1-oxopentan-2-yl]-3-(cyclohexylmethyl)-5-methyl-2-oxobenzimidazole-1-carboxamide (CID 57463420) is N-[(2R)-1-amino-4-methyl-1-oxopentan-2-yl]-3-(cyclohexylmethyl)-5-methyl-2-oxobenzimidazole-1-carboxamide.
What is the SMILES notation for N-[(2R)-1-amino-4-methyl-1-oxopentan-2-yl]-3-(cyclohexylmethyl)-5-methyl-2-oxobenzimidazole-1-carboxamide?
The canonical SMILES for N-[(2R)-1-amino-4-methyl-1-oxopentan-2-yl]-3-(cyclohexylmethyl)-5-methyl-2-oxobenzimidazole-1-carboxamide is Cc1ccc2c(c1)n(CC1CCCCC1)c(=O)n2C(=O)N[C@H](CC(C)C)C(N)=O.
What is the InChIKey of N-[(2R)-1-amino-4-methyl-1-oxopentan-2-yl]-3-(cyclohexylmethyl)-5-methyl-2-oxobenzimidazole-1-carboxamide?
The InChIKey is ZDEROVAGZPDEOZ-QGZVFWFLSA-N. The full InChI is InChI=1S/C22H32N4O3/c1-14(2)11-17(20(23)27)24-21(28)26-18-10-9-15(3)12-19(18)25(22(26)29)13-16-7-5-4-6-8-16/h9-10,12,14,16-17H,4-8,11,13H2,1-3H3,(H2,23,27)(H,24,28)/t17-/m1/s1.
What are the key properties of N-[(2R)-1-amino-4-methyl-1-oxopentan-2-yl]-3-(cyclohexylmethyl)-5-methyl-2-oxobenzimidazole-1-carboxamide?
N-[(2R)-1-amino-4-methyl-1-oxopentan-2-yl]-3-(cyclohexylmethyl)-5-methyl-2-oxobenzimidazole-1-carboxamide has a molecular weight of 400.52 g/mol, XLogP of 3.15, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-1-amino-4-methyl-1-oxopentan-2-yl]-3-(cyclohexylmethyl)-5-methyl-2-oxobenzimidazole-1-carboxamide is sourced from PubChem (CID 57463420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).