1-methyl-1-[(1S)-1-phenylethyl]-3-[2-(1,3-thiazol-4-yl)-2,3-dihydro-1H-benzimidazol-5-yl]urea

C20H21N5OS — CID 91570257

IUPAC1-methyl-1-[(1S)-1-phenylethyl]-3-[2-(1,3-thiazol-4-yl)-2,3-dihydro-1H-benzimidazol-5-yl]urea
SMILESC[C@@H](c1ccccc1)N(C)C(=O)Nc1ccc2c(c1)NC(c1cscn1)N2
InChIInChI=1S/C20H21N5OS/c1-13(14-6-4-3-5-7-14)25(2)20(26)22-15-8-9-16-17(10-15)24-19(23-16)18-11-27-12-21-18/h3-13,19,23-24H,1-2H3,(H,22,26)/t13-,19?/m0/s1
InChIKeyJWCKVNVPIBJEGO-YTJLLHSVSA-N
MW379.49 g/mol
LogP4.90
Rot. Bonds4

About 1-methyl-1-[(1S)-1-phenylethyl]-3-[2-(1,3-thiazol-4-yl)-2,3-dihydro-1H-benzimidazol-5-yl]urea

1-methyl-1-[(1S)-1-phenylethyl]-3-[2-(1,3-thiazol-4-yl)-2,3-dihydro-1H-benzimidazol-5-yl]urea (PubChem CID 91570257) has the molecular formula C20H21N5OS and a molecular weight of 379.49 g/mol. Its IUPAC name is 1-methyl-1-[(1S)-1-phenylethyl]-3-[2-(1,3-thiazol-4-yl)-2,3-dihydro-1H-benzimidazol-5-yl]urea.

Molecular Properties

Compound Name1-methyl-1-[(1S)-1-phenylethyl]-3-[2-(1,3-thiazol-4-yl)-2,3-dihydro-1H-benzimidazol-5-yl]urea
PubChem CID91570257
Molecular FormulaC20H21N5OS
Molecular Weight379.49 g/mol
Exact Mass379.15
IUPAC Name1-methyl-1-[(1S)-1-phenylethyl]-3-[2-(1,3-thiazol-4-yl)-2,3-dihydro-1H-benzimidazol-5-yl]urea
SMILESC[C@@H](c1ccccc1)N(C)C(=O)Nc1ccc2c(c1)NC(c1cscn1)N2
InChIInChI=1S/C20H21N5OS/c1-13(14-6-4-3-5-7-14)25(2)20(26)22-15-8-9-16-17(10-15)24-19(23-16)18-11-27-12-21-18/h3-13,19,23-24H,1-2H3,(H,22,26)/t13-,19?/m0/s1
InChIKeyJWCKVNVPIBJEGO-YTJLLHSVSA-N
XLogP4.90
TPSA69.29 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.49
LogP ≤ 54.90
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 1-methyl-1-[(1S)-1-phenylethyl]-3-[2-(1,3-thiazol-4-yl)-2,3-dihydro-1H-benzimidazol-5-yl]urea 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

1-(2-phenylcyclopropyl)-3-[2-(1,3-thiazol-4-yl)-2,3-dihydro-1H-benzimidazol-5-yl]urea
CID 91505728
2-(4-nitrophenyl)-N-[2-(1,3-thiazol-4-yl)-2,3-dihydro-1H-benzimidazol-5-yl]acetamide
CID 91399730
1-[(2-bromothiophen-3-yl)methyl]-3-[2-(1,3-thiazol-4-yl)-2,3-dihydro-1H-benzimidazol-5-yl]urea
CID 91259330
1-methyl-1-[(1R)-1-phenylethyl]-3-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)urea
CID 51945486
1-methyl-1-[(3R)-1-methylpyrrolidin-3-yl]-3-[3-(1,3-thiazol-4-yl)phenyl]urea
CID 125174576
3-(2,6-dipropylphenyl)-1-methyl-1-(1-phenylethyl)urea
CID 142476552
3-(3-aminophenyl)-1-[1-(3-chlorophenyl)ethyl]-1-methylurea
CID 62985968
1-[1-(4-methoxyphenyl)ethyl]-1-methyl-3-[3-(2-phenylethynyl)phenyl]urea
CID 112825452
methyl(1-phenylethyl)carbamic acid
CID 67062794
(2S)-2-[methyl(phenylcarbamoyl)amino]propanoic acid
CID 71355606
1-[(1S)-1-(3-hydroxyphenyl)ethyl]-1-methyl-3-(6-pyrrolidin-1-yl-3-pyridinyl)urea
CID 95187313
N-[3-[(1R)-1-[cyclopentylmethylcarbamoyl(methyl)amino]ethyl]phenyl]benzamide
CID 94122244

Frequently Asked Questions

What is the IUPAC name of 1-methyl-1-[(1S)-1-phenylethyl]-3-[2-(1,3-thiazol-4-yl)-2,3-dihydro-1H-benzimidazol-5-yl]urea?
The IUPAC name of 1-methyl-1-[(1S)-1-phenylethyl]-3-[2-(1,3-thiazol-4-yl)-2,3-dihydro-1H-benzimidazol-5-yl]urea (CID 91570257) is 1-methyl-1-[(1S)-1-phenylethyl]-3-[2-(1,3-thiazol-4-yl)-2,3-dihydro-1H-benzimidazol-5-yl]urea.
What is the SMILES notation for 1-methyl-1-[(1S)-1-phenylethyl]-3-[2-(1,3-thiazol-4-yl)-2,3-dihydro-1H-benzimidazol-5-yl]urea?
The canonical SMILES for 1-methyl-1-[(1S)-1-phenylethyl]-3-[2-(1,3-thiazol-4-yl)-2,3-dihydro-1H-benzimidazol-5-yl]urea is C[C@@H](c1ccccc1)N(C)C(=O)Nc1ccc2c(c1)NC(c1cscn1)N2.
What is the InChIKey of 1-methyl-1-[(1S)-1-phenylethyl]-3-[2-(1,3-thiazol-4-yl)-2,3-dihydro-1H-benzimidazol-5-yl]urea?
The InChIKey is JWCKVNVPIBJEGO-YTJLLHSVSA-N. The full InChI is InChI=1S/C20H21N5OS/c1-13(14-6-4-3-5-7-14)25(2)20(26)22-15-8-9-16-17(10-15)24-19(23-16)18-11-27-12-21-18/h3-13,19,23-24H,1-2H3,(H,22,26)/t13-,19?/m0/s1.
What are the key properties of 1-methyl-1-[(1S)-1-phenylethyl]-3-[2-(1,3-thiazol-4-yl)-2,3-dihydro-1H-benzimidazol-5-yl]urea?
1-methyl-1-[(1S)-1-phenylethyl]-3-[2-(1,3-thiazol-4-yl)-2,3-dihydro-1H-benzimidazol-5-yl]urea has a molecular weight of 379.49 g/mol, XLogP of 4.90, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-1-[(1S)-1-phenylethyl]-3-[2-(1,3-thiazol-4-yl)-2,3-dihydro-1H-benzimidazol-5-yl]urea is sourced from PubChem (CID 91570257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).