1-benzyl-1-(cyclobutylmethyl)-3-[(1S)-2-methyl-1-(1-methylimidazol-2-yl)propyl]urea

C21H30N4O — CID 125438467

IUPAC1-benzyl-1-(cyclobutylmethyl)-3-[(1S)-2-methyl-1-(1-methylimidazol-2-yl)propyl]urea
SMILESCC(C)[C@H](NC(=O)N(Cc1ccccc1)CC1CCC1)c1nccn1C
InChIInChI=1S/C21H30N4O/c1-16(2)19(20-22-12-13-24(20)3)23-21(26)25(15-18-10-7-11-18)14-17-8-5-4-6-9-17/h4-6,8-9,12-13,16,18-19H,7,10-11,14-15H2,1-3H3,(H,23,26)/t19-/m0/s1
InChIKeyRORCSXNQACLNKY-IBGZPJMESA-N
MW354.50 g/mol
LogP4.13
Rot. Bonds7

About 1-benzyl-1-(cyclobutylmethyl)-3-[(1S)-2-methyl-1-(1-methylimidazol-2-yl)propyl]urea

1-benzyl-1-(cyclobutylmethyl)-3-[(1S)-2-methyl-1-(1-methylimidazol-2-yl)propyl]urea (PubChem CID 125438467) has the molecular formula C21H30N4O and a molecular weight of 354.50 g/mol. Its IUPAC name is 1-benzyl-1-(cyclobutylmethyl)-3-[(1S)-2-methyl-1-(1-methylimidazol-2-yl)propyl]urea.

Molecular Properties

Compound Name1-benzyl-1-(cyclobutylmethyl)-3-[(1S)-2-methyl-1-(1-methylimidazol-2-yl)propyl]urea
PubChem CID125438467
Molecular FormulaC21H30N4O
Molecular Weight354.50 g/mol
Exact Mass354.24
IUPAC Name1-benzyl-1-(cyclobutylmethyl)-3-[(1S)-2-methyl-1-(1-methylimidazol-2-yl)propyl]urea
SMILESCC(C)[C@H](NC(=O)N(Cc1ccccc1)CC1CCC1)c1nccn1C
InChIInChI=1S/C21H30N4O/c1-16(2)19(20-22-12-13-24(20)3)23-21(26)25(15-18-10-7-11-18)14-17-8-5-4-6-9-17/h4-6,8-9,12-13,16,18-19H,7,10-11,14-15H2,1-3H3,(H,23,26)/t19-/m0/s1
InChIKeyRORCSXNQACLNKY-IBGZPJMESA-N
XLogP4.13
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.50
LogP ≤ 54.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-benzyl-1-(cyclobutylmethyl)-3-[(1S)-2-methyl-1-(1-methylimidazol-2-yl)propyl]urea with MolForge

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Related Compounds

(2S)-2-amino-N-benzyl-N-(cyclobutylmethyl)propanamide;hydrochloride
CID 119305505
1-methyl-3-[(1R)-2-methyl-1-(1-methylimidazol-2-yl)propyl]-1-[[3-(trifluoromethyl)phenyl]methyl]urea
CID 125435794
4-[[benzyl(cyclobutylmethyl)carbamoyl]amino]cyclohexane-1-carboxylic acid
CID 122025029
N-[(1R)-2-methyl-1-(1-methylimidazol-2-yl)propyl]-2-[methyl-[(4-methylphenyl)methyl]amino]acetamide
CID 124849944
N-[(1S)-2-methyl-1-(1-methylimidazol-2-yl)propyl]-2-[methyl-[(4-methylphenyl)methyl]amino]acetamide
CID 124849945
1-benzyl-1-cyclopropyl-3-[(2-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]urea
CID 55793501
benzyl(cyclohexylmethyl)carbamic acid
CID 57063774
1,1-dibenzyl-3-propan-2-ylurea
CID 23988482
1-methyl-3-[2-methyl-1-(1-methylimidazol-2-yl)propyl]-1-[(3-methyloxetan-3-yl)methyl]urea
CID 122571679
2-(3-methoxyphenyl)-N-[(1R)-2-methyl-1-(1-methylimidazol-2-yl)propyl]acetamide
CID 125164841
4-[[benzyl(cyclobutylmethyl)carbamoyl]amino]butanoic acid
CID 122021483
3-hydroxy-N-[2-methyl-1-(1-methylimidazol-2-yl)propyl]azetidine-1-carboxamide
CID 122560977

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-1-(cyclobutylmethyl)-3-[(1S)-2-methyl-1-(1-methylimidazol-2-yl)propyl]urea?
The IUPAC name of 1-benzyl-1-(cyclobutylmethyl)-3-[(1S)-2-methyl-1-(1-methylimidazol-2-yl)propyl]urea (CID 125438467) is 1-benzyl-1-(cyclobutylmethyl)-3-[(1S)-2-methyl-1-(1-methylimidazol-2-yl)propyl]urea.
What is the SMILES notation for 1-benzyl-1-(cyclobutylmethyl)-3-[(1S)-2-methyl-1-(1-methylimidazol-2-yl)propyl]urea?
The canonical SMILES for 1-benzyl-1-(cyclobutylmethyl)-3-[(1S)-2-methyl-1-(1-methylimidazol-2-yl)propyl]urea is CC(C)[C@H](NC(=O)N(Cc1ccccc1)CC1CCC1)c1nccn1C.
What is the InChIKey of 1-benzyl-1-(cyclobutylmethyl)-3-[(1S)-2-methyl-1-(1-methylimidazol-2-yl)propyl]urea?
The InChIKey is RORCSXNQACLNKY-IBGZPJMESA-N. The full InChI is InChI=1S/C21H30N4O/c1-16(2)19(20-22-12-13-24(20)3)23-21(26)25(15-18-10-7-11-18)14-17-8-5-4-6-9-17/h4-6,8-9,12-13,16,18-19H,7,10-11,14-15H2,1-3H3,(H,23,26)/t19-/m0/s1.
What are the key properties of 1-benzyl-1-(cyclobutylmethyl)-3-[(1S)-2-methyl-1-(1-methylimidazol-2-yl)propyl]urea?
1-benzyl-1-(cyclobutylmethyl)-3-[(1S)-2-methyl-1-(1-methylimidazol-2-yl)propyl]urea has a molecular weight of 354.50 g/mol, XLogP of 4.13, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-1-(cyclobutylmethyl)-3-[(1S)-2-methyl-1-(1-methylimidazol-2-yl)propyl]urea is sourced from PubChem (CID 125438467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).