N-[(1S,2S)-2-(aminomethyl)cyclohexyl]-2-methyl-3-(2-oxoimidazolidin-1-yl)benzamide

C18H26N4O2 — CID 124594018

IUPACN-[(1S,2S)-2-(aminomethyl)cyclohexyl]-2-methyl-3-(2-oxoimidazolidin-1-yl)benzamide
SMILESCc1c(C(=O)N[C@H]2CCCC[C@H]2CN)cccc1N1CCNC1=O
InChIInChI=1S/C18H26N4O2/c1-12-14(6-4-8-16(12)22-10-9-20-18(22)24)17(23)21-15-7-3-2-5-13(15)11-19/h4,6,8,13,15H,2-3,5,7,9-11,19H2,1H3,(H,20,24)(H,21,23)/t13-,15-/m0/s1
InChIKeyKIUCHCMIALGTFP-ZFWWWQNUSA-N
MW330.43 g/mol
LogP1.77
Rot. Bonds4

About N-[(1S,2S)-2-(aminomethyl)cyclohexyl]-2-methyl-3-(2-oxoimidazolidin-1-yl)benzamide

N-[(1S,2S)-2-(aminomethyl)cyclohexyl]-2-methyl-3-(2-oxoimidazolidin-1-yl)benzamide (PubChem CID 124594018) has the molecular formula C18H26N4O2 and a molecular weight of 330.43 g/mol. Its IUPAC name is N-[(1S,2S)-2-(aminomethyl)cyclohexyl]-2-methyl-3-(2-oxoimidazolidin-1-yl)benzamide.

Molecular Properties

Compound NameN-[(1S,2S)-2-(aminomethyl)cyclohexyl]-2-methyl-3-(2-oxoimidazolidin-1-yl)benzamide
PubChem CID124594018
Molecular FormulaC18H26N4O2
Molecular Weight330.43 g/mol
Exact Mass330.21
IUPAC NameN-[(1S,2S)-2-(aminomethyl)cyclohexyl]-2-methyl-3-(2-oxoimidazolidin-1-yl)benzamide
SMILESCc1c(C(=O)N[C@H]2CCCC[C@H]2CN)cccc1N1CCNC1=O
InChIInChI=1S/C18H26N4O2/c1-12-14(6-4-8-16(12)22-10-9-20-18(22)24)17(23)21-15-7-3-2-5-13(15)11-19/h4,6,8,13,15H,2-3,5,7,9-11,19H2,1H3,(H,20,24)(H,21,23)/t13-,15-/m0/s1
InChIKeyKIUCHCMIALGTFP-ZFWWWQNUSA-N
XLogP1.77
TPSA87.46 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.43
LogP ≤ 51.77
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze N-[(1S,2S)-2-(aminomethyl)cyclohexyl]-2-methyl-3-(2-oxoimidazolidin-1-yl)benzamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[(1S,2S)-2-(aminomethyl)cyclohexyl]-2-methyl-3-(2-oxoimidazolidin-1-yl)benzamide?
The IUPAC name of N-[(1S,2S)-2-(aminomethyl)cyclohexyl]-2-methyl-3-(2-oxoimidazolidin-1-yl)benzamide (CID 124594018) is N-[(1S,2S)-2-(aminomethyl)cyclohexyl]-2-methyl-3-(2-oxoimidazolidin-1-yl)benzamide.
What is the SMILES notation for N-[(1S,2S)-2-(aminomethyl)cyclohexyl]-2-methyl-3-(2-oxoimidazolidin-1-yl)benzamide?
The canonical SMILES for N-[(1S,2S)-2-(aminomethyl)cyclohexyl]-2-methyl-3-(2-oxoimidazolidin-1-yl)benzamide is Cc1c(C(=O)N[C@H]2CCCC[C@H]2CN)cccc1N1CCNC1=O.
What is the InChIKey of N-[(1S,2S)-2-(aminomethyl)cyclohexyl]-2-methyl-3-(2-oxoimidazolidin-1-yl)benzamide?
The InChIKey is KIUCHCMIALGTFP-ZFWWWQNUSA-N. The full InChI is InChI=1S/C18H26N4O2/c1-12-14(6-4-8-16(12)22-10-9-20-18(22)24)17(23)21-15-7-3-2-5-13(15)11-19/h4,6,8,13,15H,2-3,5,7,9-11,19H2,1H3,(H,20,24)(H,21,23)/t13-,15-/m0/s1.
What are the key properties of N-[(1S,2S)-2-(aminomethyl)cyclohexyl]-2-methyl-3-(2-oxoimidazolidin-1-yl)benzamide?
N-[(1S,2S)-2-(aminomethyl)cyclohexyl]-2-methyl-3-(2-oxoimidazolidin-1-yl)benzamide has a molecular weight of 330.43 g/mol, XLogP of 1.77, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S,2S)-2-(aminomethyl)cyclohexyl]-2-methyl-3-(2-oxoimidazolidin-1-yl)benzamide is sourced from PubChem (CID 124594018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).