1-[1-(1H-benzimidazol-2-yl)-2-phenylethyl]-3-(1-ethylpyrazol-4-yl)urea

C21H22N6O — CID 55769917

IUPAC1-[1-(1H-benzimidazol-2-yl)-2-phenylethyl]-3-(1-ethylpyrazol-4-yl)urea
SMILESCCn1cc(NC(=O)NC(Cc2ccccc2)c2nc3ccccc3[nH]2)cn1
InChIInChI=1S/C21H22N6O/c1-2-27-14-16(13-22-27)23-21(28)26-19(12-15-8-4-3-5-9-15)20-24-17-10-6-7-11-18(17)25-20/h3-11,13-14,19H,2,12H2,1H3,(H,24,25)(H2,23,26,28)
InChIKeyUVBPBQGBLBGXOT-UHFFFAOYSA-N
MW374.45 g/mol
LogP3.88
Rot. Bonds6

About 1-[1-(1H-benzimidazol-2-yl)-2-phenylethyl]-3-(1-ethylpyrazol-4-yl)urea

1-[1-(1H-benzimidazol-2-yl)-2-phenylethyl]-3-(1-ethylpyrazol-4-yl)urea (PubChem CID 55769917) has the molecular formula C21H22N6O and a molecular weight of 374.45 g/mol. Its IUPAC name is 1-[1-(1H-benzimidazol-2-yl)-2-phenylethyl]-3-(1-ethylpyrazol-4-yl)urea.

Molecular Properties

Compound Name1-[1-(1H-benzimidazol-2-yl)-2-phenylethyl]-3-(1-ethylpyrazol-4-yl)urea
PubChem CID55769917
Molecular FormulaC21H22N6O
Molecular Weight374.45 g/mol
Exact Mass374.19
IUPAC Name1-[1-(1H-benzimidazol-2-yl)-2-phenylethyl]-3-(1-ethylpyrazol-4-yl)urea
SMILESCCn1cc(NC(=O)NC(Cc2ccccc2)c2nc3ccccc3[nH]2)cn1
InChIInChI=1S/C21H22N6O/c1-2-27-14-16(13-22-27)23-21(28)26-19(12-15-8-4-3-5-9-15)20-24-17-10-6-7-11-18(17)25-20/h3-11,13-14,19H,2,12H2,1H3,(H,24,25)(H2,23,26,28)
InChIKeyUVBPBQGBLBGXOT-UHFFFAOYSA-N
XLogP3.88
TPSA87.63 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.45
LogP ≤ 53.88
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

1-[(1S)-1-(1H-benzimidazol-2-yl)-2-phenylethyl]-3-(4-nitrophenyl)urea
CID 51969628
N-[2-[[(1S)-1-(1H-benzimidazol-2-yl)-2-phenylethyl]amino]-2-oxoethyl]-2,2-dimethylpropanamide
CID 40633986
1-[(1R)-1-(1H-benzimidazol-2-yl)-2-phenylethyl]-3-phenylthiourea
CID 118715531
N-[(1S)-1-(1H-benzimidazol-2-yl)-2-phenylethyl]-2-(N-ethylanilino)acetamide
CID 55940334
N-[(1R)-1-(1H-benzimidazol-2-yl)-2-phenylethyl]-3-methylsulfanylpropanamide
CID 40633884
N-(1-ethylpyrazol-4-yl)-3-phenyl-2-sulfanylpropanamide
CID 107022931
N-[(1S)-1-(1H-benzimidazol-2-yl)-2-phenylethyl]-6-methylpyridine-3-carboxamide
CID 46563495
N-[(1R)-1-(1H-benzimidazol-2-yl)-2-(4-hydroxyphenyl)ethyl]-2-methylpyrazole-3-carboxamide
CID 97211410
N-[1-(1H-benzimidazol-2-yl)-2-phenylethyl]-2-(4-bromophenyl)acetamide
CID 4877413
N-[1-(1H-benzimidazol-2-yl)-2-phenylethyl]-6-oxo-1H-pyridine-3-carboxamide
CID 3653845
benzyl N-[4-[[(1S)-1-(1H-benzimidazol-2-yl)-2-phenylethyl]amino]-4-oxobutyl]carbamate
CID 55939947
N-[1-[2-[[(1S)-1-(1H-benzimidazol-2-yl)ethyl]amino]-2-oxoethyl]pyrazol-4-yl]-4-fluorobenzamide
CID 92634721

Frequently Asked Questions

What is the IUPAC name of 1-[1-(1H-benzimidazol-2-yl)-2-phenylethyl]-3-(1-ethylpyrazol-4-yl)urea?
The IUPAC name of 1-[1-(1H-benzimidazol-2-yl)-2-phenylethyl]-3-(1-ethylpyrazol-4-yl)urea (CID 55769917) is 1-[1-(1H-benzimidazol-2-yl)-2-phenylethyl]-3-(1-ethylpyrazol-4-yl)urea.
What is the SMILES notation for 1-[1-(1H-benzimidazol-2-yl)-2-phenylethyl]-3-(1-ethylpyrazol-4-yl)urea?
The canonical SMILES for 1-[1-(1H-benzimidazol-2-yl)-2-phenylethyl]-3-(1-ethylpyrazol-4-yl)urea is CCn1cc(NC(=O)NC(Cc2ccccc2)c2nc3ccccc3[nH]2)cn1.
What is the InChIKey of 1-[1-(1H-benzimidazol-2-yl)-2-phenylethyl]-3-(1-ethylpyrazol-4-yl)urea?
The InChIKey is UVBPBQGBLBGXOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N6O/c1-2-27-14-16(13-22-27)23-21(28)26-19(12-15-8-4-3-5-9-15)20-24-17-10-6-7-11-18(17)25-20/h3-11,13-14,19H,2,12H2,1H3,(H,24,25)(H2,23,26,28).
What are the key properties of 1-[1-(1H-benzimidazol-2-yl)-2-phenylethyl]-3-(1-ethylpyrazol-4-yl)urea?
1-[1-(1H-benzimidazol-2-yl)-2-phenylethyl]-3-(1-ethylpyrazol-4-yl)urea has a molecular weight of 374.45 g/mol, XLogP of 3.88, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(1H-benzimidazol-2-yl)-2-phenylethyl]-3-(1-ethylpyrazol-4-yl)urea is sourced from PubChem (CID 55769917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).