1-cyclopropyl-1-[(1S)-1-cyclopropylethyl]-3-[(S)-(1-methylimidazol-2-yl)-phenylmethyl]urea

C20H26N4O — CID 95908638

IUPAC1-cyclopropyl-1-[(1S)-1-cyclopropylethyl]-3-[(S)-(1-methylimidazol-2-yl)-phenylmethyl]urea
SMILESC[C@@H](C1CC1)N(C(=O)N[C@@H](c1ccccc1)c1nccn1C)C1CC1
InChIInChI=1S/C20H26N4O/c1-14(15-8-9-15)24(17-10-11-17)20(25)22-18(16-6-4-3-5-7-16)19-21-12-13-23(19)2/h3-7,12-15,17-18H,8-11H2,1-2H3,(H,22,25)/t14-,18-/m0/s1
InChIKeyWYKJYTHXHFHTQS-KSSFIOAISA-N
MW338.45 g/mol
LogP3.48
Rot. Bonds6

About 1-cyclopropyl-1-[(1S)-1-cyclopropylethyl]-3-[(S)-(1-methylimidazol-2-yl)-phenylmethyl]urea

1-cyclopropyl-1-[(1S)-1-cyclopropylethyl]-3-[(S)-(1-methylimidazol-2-yl)-phenylmethyl]urea (PubChem CID 95908638) has the molecular formula C20H26N4O and a molecular weight of 338.45 g/mol. Its IUPAC name is 1-cyclopropyl-1-[(1S)-1-cyclopropylethyl]-3-[(S)-(1-methylimidazol-2-yl)-phenylmethyl]urea.

Molecular Properties

Compound Name1-cyclopropyl-1-[(1S)-1-cyclopropylethyl]-3-[(S)-(1-methylimidazol-2-yl)-phenylmethyl]urea
PubChem CID95908638
Molecular FormulaC20H26N4O
Molecular Weight338.45 g/mol
Exact Mass338.21
IUPAC Name1-cyclopropyl-1-[(1S)-1-cyclopropylethyl]-3-[(S)-(1-methylimidazol-2-yl)-phenylmethyl]urea
SMILESC[C@@H](C1CC1)N(C(=O)N[C@@H](c1ccccc1)c1nccn1C)C1CC1
InChIInChI=1S/C20H26N4O/c1-14(15-8-9-15)24(17-10-11-17)20(25)22-18(16-6-4-3-5-7-16)19-21-12-13-23(19)2/h3-7,12-15,17-18H,8-11H2,1-2H3,(H,22,25)/t14-,18-/m0/s1
InChIKeyWYKJYTHXHFHTQS-KSSFIOAISA-N
XLogP3.48
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.45
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-cyclopropyl-1-[(1S)-1-cyclopropylethyl]-3-[(S)-(1-methylimidazol-2-yl)-phenylmethyl]urea with MolForge

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Related Compounds

N-[(R)-(1-methylimidazol-2-yl)-phenylmethyl]cyclohexanecarboxamide
CID 25341826
1-N,1-N-diethyl-4-N-[(1-methylimidazol-2-yl)-phenylmethyl]piperidine-1,4-dicarboxamide
CID 55718362
(1S)-N-[(S)-(1-methylimidazol-2-yl)-phenylmethyl]cyclohex-3-ene-1-carboxamide
CID 25341556
N-[(1-methylimidazol-2-yl)-phenylmethyl]-2,3-dihydro-1-benzofuran-2-carboxamide
CID 18103540
3-amino-N-[(1-methylimidazol-2-yl)-phenylmethyl]propanamide
CID 61253020
2-methylpropyl N-[(1-methylimidazol-2-yl)-phenylmethyl]carbamate
CID 110429248
3-(azepan-1-yl)-N-[(S)-(1-methylimidazol-2-yl)-phenylmethyl]propanamide
CID 125160043
N-[(R)-(1-methylimidazol-2-yl)-phenylmethyl]-2-phenylsulfanylacetamide
CID 40809503
N-[(1-methylimidazol-2-yl)-phenylmethyl]aniline
CID 12062920
N-[(1-methylimidazol-2-yl)-phenylmethyl]-2-piperidin-1-ylacetamide
CID 17490913
1-[(4-chlorophenyl)-(1-methylimidazol-2-yl)methyl]-3-(1-phenylethyl)urea
CID 42954342
1-benzyl-1-cyclopropyl-3-[(2-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]urea
CID 55793501

Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-1-[(1S)-1-cyclopropylethyl]-3-[(S)-(1-methylimidazol-2-yl)-phenylmethyl]urea?
The IUPAC name of 1-cyclopropyl-1-[(1S)-1-cyclopropylethyl]-3-[(S)-(1-methylimidazol-2-yl)-phenylmethyl]urea (CID 95908638) is 1-cyclopropyl-1-[(1S)-1-cyclopropylethyl]-3-[(S)-(1-methylimidazol-2-yl)-phenylmethyl]urea.
What is the SMILES notation for 1-cyclopropyl-1-[(1S)-1-cyclopropylethyl]-3-[(S)-(1-methylimidazol-2-yl)-phenylmethyl]urea?
The canonical SMILES for 1-cyclopropyl-1-[(1S)-1-cyclopropylethyl]-3-[(S)-(1-methylimidazol-2-yl)-phenylmethyl]urea is C[C@@H](C1CC1)N(C(=O)N[C@@H](c1ccccc1)c1nccn1C)C1CC1.
What is the InChIKey of 1-cyclopropyl-1-[(1S)-1-cyclopropylethyl]-3-[(S)-(1-methylimidazol-2-yl)-phenylmethyl]urea?
The InChIKey is WYKJYTHXHFHTQS-KSSFIOAISA-N. The full InChI is InChI=1S/C20H26N4O/c1-14(15-8-9-15)24(17-10-11-17)20(25)22-18(16-6-4-3-5-7-16)19-21-12-13-23(19)2/h3-7,12-15,17-18H,8-11H2,1-2H3,(H,22,25)/t14-,18-/m0/s1.
What are the key properties of 1-cyclopropyl-1-[(1S)-1-cyclopropylethyl]-3-[(S)-(1-methylimidazol-2-yl)-phenylmethyl]urea?
1-cyclopropyl-1-[(1S)-1-cyclopropylethyl]-3-[(S)-(1-methylimidazol-2-yl)-phenylmethyl]urea has a molecular weight of 338.45 g/mol, XLogP of 3.48, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-1-[(1S)-1-cyclopropylethyl]-3-[(S)-(1-methylimidazol-2-yl)-phenylmethyl]urea is sourced from PubChem (CID 95908638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).