(4S)-N-[(1R,2S)-1-(1H-benzimidazol-2-yl)-2-methylbutyl]-2-oxoimidazolidine-4-carboxamide

C16H21N5O2 — CID 97095652

IUPAC(4S)-N-[(1R,2S)-1-(1H-benzimidazol-2-yl)-2-methylbutyl]-2-oxoimidazolidine-4-carboxamide
SMILESCC[C@H](C)[C@@H](NC(=O)[C@@H]1CNC(=O)N1)c1nc2ccccc2[nH]1
InChIInChI=1S/C16H21N5O2/c1-3-9(2)13(21-15(22)12-8-17-16(23)20-12)14-18-10-6-4-5-7-11(10)19-14/h4-7,9,12-13H,3,8H2,1-2H3,(H,18,19)(H,21,22)(H2,17,20,23)/t9-,12-,13+/m0/s1
InChIKeyZYYVUYFXMQOTHO-TVYUQYBPSA-N
MW315.38 g/mol
LogP1.45
Rot. Bonds5

About (4S)-N-[(1R,2S)-1-(1H-benzimidazol-2-yl)-2-methylbutyl]-2-oxoimidazolidine-4-carboxamide

(4S)-N-[(1R,2S)-1-(1H-benzimidazol-2-yl)-2-methylbutyl]-2-oxoimidazolidine-4-carboxamide (PubChem CID 97095652) has the molecular formula C16H21N5O2 and a molecular weight of 315.38 g/mol. Its IUPAC name is (4S)-N-[(1R,2S)-1-(1H-benzimidazol-2-yl)-2-methylbutyl]-2-oxoimidazolidine-4-carboxamide.

Molecular Properties

Compound Name(4S)-N-[(1R,2S)-1-(1H-benzimidazol-2-yl)-2-methylbutyl]-2-oxoimidazolidine-4-carboxamide
PubChem CID97095652
Molecular FormulaC16H21N5O2
Molecular Weight315.38 g/mol
Exact Mass315.17
IUPAC Name(4S)-N-[(1R,2S)-1-(1H-benzimidazol-2-yl)-2-methylbutyl]-2-oxoimidazolidine-4-carboxamide
SMILESCC[C@H](C)[C@@H](NC(=O)[C@@H]1CNC(=O)N1)c1nc2ccccc2[nH]1
InChIInChI=1S/C16H21N5O2/c1-3-9(2)13(21-15(22)12-8-17-16(23)20-12)14-18-10-6-4-5-7-11(10)19-14/h4-7,9,12-13H,3,8H2,1-2H3,(H,18,19)(H,21,22)(H2,17,20,23)/t9-,12-,13+/m0/s1
InChIKeyZYYVUYFXMQOTHO-TVYUQYBPSA-N
XLogP1.45
TPSA98.91 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.38
LogP ≤ 51.45
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

Analyze (4S)-N-[(1R,2S)-1-(1H-benzimidazol-2-yl)-2-methylbutyl]-2-oxoimidazolidine-4-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[[1-(1H-benzimidazol-2-yl)-2-methylbutyl]carbamoyl]cyclopropane-1-carboxylic acid
CID 75495508
N-[(1R,2S)-1-(1H-benzimidazol-2-yl)-2-methylbutyl]-1-(2,2,2-trifluoroethyl)piperidine-4-carboxamide
CID 94494989
N-[1-(1H-benzimidazol-2-yl)-2-methylbutyl]-1-(pyridine-3-carbonyl)piperidine-4-carboxamide
CID 146121702
N-[2-[[1-(1H-benzimidazol-2-yl)-2-methylbutyl]amino]-2-oxoethyl]-2-methylbutanamide
CID 51091867
N-[(1S,2R)-1-(1H-benzimidazol-2-yl)-2-methylbutyl]-3,3,3-trifluoropropanamide
CID 95155727
N-[(1S,2R)-1-(1H-benzimidazol-2-yl)-2-methylbutyl]-2-morpholin-4-ylacetamide
CID 97341345
N-[(1R,2S)-1-(1H-benzimidazol-2-yl)-2-methylbutyl]-2-(4-methoxyphenyl)acetamide
CID 124873697
N-[(1S,2S)-1-(1H-benzimidazol-2-yl)-2-methylbutyl]-3,5-difluorobenzamide
CID 51960123
N-[1-(1H-benzimidazol-2-yl)-2-methylbutyl]-1-methyl-6-oxo-4,5-dihydropyridazine-3-carboxamide
CID 51088261
N-[(1S,2R)-1-(1H-benzimidazol-2-yl)-2-methylbutyl]-1-oxidopyridin-1-ium-4-carboxamide
CID 94613930
N-[1-(1H-benzimidazol-2-yl)-2-methylbutyl]-2,3-dichlorobenzamide
CID 55862922
N-[(1S,2S)-1-(1H-benzimidazol-2-yl)-2-methylbutyl]-3-pyridin-3-yl-1H-pyrazole-5-carboxamide
CID 91640158

Frequently Asked Questions

What is the IUPAC name of (4S)-N-[(1R,2S)-1-(1H-benzimidazol-2-yl)-2-methylbutyl]-2-oxoimidazolidine-4-carboxamide?
The IUPAC name of (4S)-N-[(1R,2S)-1-(1H-benzimidazol-2-yl)-2-methylbutyl]-2-oxoimidazolidine-4-carboxamide (CID 97095652) is (4S)-N-[(1R,2S)-1-(1H-benzimidazol-2-yl)-2-methylbutyl]-2-oxoimidazolidine-4-carboxamide.
What is the SMILES notation for (4S)-N-[(1R,2S)-1-(1H-benzimidazol-2-yl)-2-methylbutyl]-2-oxoimidazolidine-4-carboxamide?
The canonical SMILES for (4S)-N-[(1R,2S)-1-(1H-benzimidazol-2-yl)-2-methylbutyl]-2-oxoimidazolidine-4-carboxamide is CC[C@H](C)[C@@H](NC(=O)[C@@H]1CNC(=O)N1)c1nc2ccccc2[nH]1.
What is the InChIKey of (4S)-N-[(1R,2S)-1-(1H-benzimidazol-2-yl)-2-methylbutyl]-2-oxoimidazolidine-4-carboxamide?
The InChIKey is ZYYVUYFXMQOTHO-TVYUQYBPSA-N. The full InChI is InChI=1S/C16H21N5O2/c1-3-9(2)13(21-15(22)12-8-17-16(23)20-12)14-18-10-6-4-5-7-11(10)19-14/h4-7,9,12-13H,3,8H2,1-2H3,(H,18,19)(H,21,22)(H2,17,20,23)/t9-,12-,13+/m0/s1.
What are the key properties of (4S)-N-[(1R,2S)-1-(1H-benzimidazol-2-yl)-2-methylbutyl]-2-oxoimidazolidine-4-carboxamide?
(4S)-N-[(1R,2S)-1-(1H-benzimidazol-2-yl)-2-methylbutyl]-2-oxoimidazolidine-4-carboxamide has a molecular weight of 315.38 g/mol, XLogP of 1.45, 5 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-N-[(1R,2S)-1-(1H-benzimidazol-2-yl)-2-methylbutyl]-2-oxoimidazolidine-4-carboxamide is sourced from PubChem (CID 97095652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).