1-(benzimidazol-1-yl)-3-[1-(3-imidazol-1-ylphenyl)ethyl]urea

C19H18N6O — CID 71990747

IUPAC1-(benzimidazol-1-yl)-3-[1-(3-imidazol-1-ylphenyl)ethyl]urea
SMILESCC(NC(=O)Nn1cnc2ccccc21)c1cccc(-n2ccnc2)c1
InChIInChI=1S/C19H18N6O/c1-14(15-5-4-6-16(11-15)24-10-9-20-12-24)22-19(26)23-25-13-21-17-7-2-3-8-18(17)25/h2-14H,1H3,(H2,22,23,26)
InChIKeyNGMKUKZXGVHLHE-UHFFFAOYSA-N
MW346.39 g/mol
LogP3.24
Rot. Bonds4

About 1-(benzimidazol-1-yl)-3-[1-(3-imidazol-1-ylphenyl)ethyl]urea

1-(benzimidazol-1-yl)-3-[1-(3-imidazol-1-ylphenyl)ethyl]urea (PubChem CID 71990747) has the molecular formula C19H18N6O and a molecular weight of 346.39 g/mol. Its IUPAC name is 1-(benzimidazol-1-yl)-3-[1-(3-imidazol-1-ylphenyl)ethyl]urea.

Molecular Properties

Compound Name1-(benzimidazol-1-yl)-3-[1-(3-imidazol-1-ylphenyl)ethyl]urea
PubChem CID71990747
Molecular FormulaC19H18N6O
Molecular Weight346.39 g/mol
Exact Mass346.15
IUPAC Name1-(benzimidazol-1-yl)-3-[1-(3-imidazol-1-ylphenyl)ethyl]urea
SMILESCC(NC(=O)Nn1cnc2ccccc21)c1cccc(-n2ccnc2)c1
InChIInChI=1S/C19H18N6O/c1-14(15-5-4-6-16(11-15)24-10-9-20-12-24)22-19(26)23-25-13-21-17-7-2-3-8-18(17)25/h2-14H,1H3,(H2,22,23,26)
InChIKeyNGMKUKZXGVHLHE-UHFFFAOYSA-N
XLogP3.24
TPSA76.77 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.39
LogP ≤ 53.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

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1-(benzimidazol-1-yl)-3-[(1R)-1-pyridin-2-ylethyl]urea
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4-[1-(3-imidazol-1-ylphenyl)ethylcarbamoylamino]butanoic acid
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1-[(1R)-1-(4-imidazol-1-ylphenyl)ethyl]-3-[(1R)-1-phenylethyl]urea
CID 36870824
1-[(1S)-1-(3-imidazol-1-ylphenyl)ethyl]-3-(1-methyl-2-oxo-3-pyridinyl)urea
CID 95782892
3-[(1S)-1-(3-imidazol-1-ylphenyl)ethyl]-1-methyl-1-(pyridin-4-ylmethyl)urea
CID 95969130
1-(benzimidazol-1-yl)-3-[(1S)-1-[4-(diethylsulfamoyl)phenyl]ethyl]urea
CID 41482598
1,3-bis[1-(4-imidazol-1-ylphenyl)ethyl]urea
CID 174999274
1-(3-imidazol-1-ylphenyl)ethanol
CID 50973411
(E)-3-(furan-2-yl)-N-[1-(3-imidazol-1-ylphenyl)ethyl]prop-2-enamide
CID 75407981

Frequently Asked Questions

What is the IUPAC name of 1-(benzimidazol-1-yl)-3-[1-(3-imidazol-1-ylphenyl)ethyl]urea?
The IUPAC name of 1-(benzimidazol-1-yl)-3-[1-(3-imidazol-1-ylphenyl)ethyl]urea (CID 71990747) is 1-(benzimidazol-1-yl)-3-[1-(3-imidazol-1-ylphenyl)ethyl]urea.
What is the SMILES notation for 1-(benzimidazol-1-yl)-3-[1-(3-imidazol-1-ylphenyl)ethyl]urea?
The canonical SMILES for 1-(benzimidazol-1-yl)-3-[1-(3-imidazol-1-ylphenyl)ethyl]urea is CC(NC(=O)Nn1cnc2ccccc21)c1cccc(-n2ccnc2)c1.
What is the InChIKey of 1-(benzimidazol-1-yl)-3-[1-(3-imidazol-1-ylphenyl)ethyl]urea?
The InChIKey is NGMKUKZXGVHLHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N6O/c1-14(15-5-4-6-16(11-15)24-10-9-20-12-24)22-19(26)23-25-13-21-17-7-2-3-8-18(17)25/h2-14H,1H3,(H2,22,23,26).
What are the key properties of 1-(benzimidazol-1-yl)-3-[1-(3-imidazol-1-ylphenyl)ethyl]urea?
1-(benzimidazol-1-yl)-3-[1-(3-imidazol-1-ylphenyl)ethyl]urea has a molecular weight of 346.39 g/mol, XLogP of 3.24, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(benzimidazol-1-yl)-3-[1-(3-imidazol-1-ylphenyl)ethyl]urea is sourced from PubChem (CID 71990747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).