1-[2-(1H-benzimidazol-2-yl)ethyl]-3-[(3,4-dichlorophenyl)methyl]urea

C17H16Cl2N4O — CID 59018321

IUPAC1-[2-(1H-benzimidazol-2-yl)ethyl]-3-[(3,4-dichlorophenyl)methyl]urea
SMILESO=C(NCCc1nc2ccccc2[nH]1)NCc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C17H16Cl2N4O/c18-12-6-5-11(9-13(12)19)10-21-17(24)20-8-7-16-22-14-3-1-2-4-15(14)23-16/h1-6,9H,7-8,10H2,(H,22,23)(H2,20,21,24)
InChIKeyBCCOVEUHYKFBBA-UHFFFAOYSA-N
MW363.25 g/mol
LogP3.91
Rot. Bonds5

About 1-[2-(1H-benzimidazol-2-yl)ethyl]-3-[(3,4-dichlorophenyl)methyl]urea

1-[2-(1H-benzimidazol-2-yl)ethyl]-3-[(3,4-dichlorophenyl)methyl]urea (PubChem CID 59018321) has the molecular formula C17H16Cl2N4O and a molecular weight of 363.25 g/mol. Its IUPAC name is 1-[2-(1H-benzimidazol-2-yl)ethyl]-3-[(3,4-dichlorophenyl)methyl]urea.

Molecular Properties

Compound Name1-[2-(1H-benzimidazol-2-yl)ethyl]-3-[(3,4-dichlorophenyl)methyl]urea
PubChem CID59018321
Molecular FormulaC17H16Cl2N4O
Molecular Weight363.25 g/mol
Exact Mass362.07
IUPAC Name1-[2-(1H-benzimidazol-2-yl)ethyl]-3-[(3,4-dichlorophenyl)methyl]urea
SMILESO=C(NCCc1nc2ccccc2[nH]1)NCc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C17H16Cl2N4O/c18-12-6-5-11(9-13(12)19)10-21-17(24)20-8-7-16-22-14-3-1-2-4-15(14)23-16/h1-6,9H,7-8,10H2,(H,22,23)(H2,20,21,24)
InChIKeyBCCOVEUHYKFBBA-UHFFFAOYSA-N
XLogP3.91
TPSA69.81 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.25
LogP ≤ 53.91
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

1-[2-(1H-benzimidazol-2-yl)ethyl]-3-ethylurea
CID 43224751
1-[3-(1H-benzimidazol-2-yl)propyl]-3-[(4-fluoro-3-methylphenyl)methyl]urea
CID 24612843
N-[3-[[2-(1H-benzimidazol-2-yl)ethylcarbamoylamino]methyl]phenyl]furan-2-carboxamide
CID 35669369
3-[3-(1H-benzimidazol-2-yl)propyl]-1-[(3,4-dichlorophenyl)methyl]-1-methylurea
CID 30306692
(2S)-1-[3-(1H-benzimidazol-2-yl)propanoyl]-N-[(3,4-dichlorophenyl)methyl]pyrrolidine-2-carboxamide
CID 15950215
1-(1H-benzimidazol-2-ylmethyl)-3-propylurea
CID 47120671
4-(acetamidomethyl)-N-[2-(1H-benzimidazol-2-yl)ethyl]benzamide
CID 17394585
N-[2-(1H-benzimidazol-2-yl)ethyl]-2-chloropyridine-4-carboxamide
CID 103607169
N-[2-(1H-benzimidazol-2-yl)ethyl]-3-oxobutanamide
CID 110460612
2-(1H-benzimidazol-2-yl)-N-[(4-chlorophenyl)methyl]ethanamine
CID 66526945
3-(1H-benzimidazol-2-yl)-N-[(3-fluoro-4-methylphenyl)methyl]propanamide
CID 17473012
3-acetamido-N-[2-(1H-benzimidazol-2-yl)ethyl]propanamide
CID 43229201

Frequently Asked Questions

What is the IUPAC name of 1-[2-(1H-benzimidazol-2-yl)ethyl]-3-[(3,4-dichlorophenyl)methyl]urea?
The IUPAC name of 1-[2-(1H-benzimidazol-2-yl)ethyl]-3-[(3,4-dichlorophenyl)methyl]urea (CID 59018321) is 1-[2-(1H-benzimidazol-2-yl)ethyl]-3-[(3,4-dichlorophenyl)methyl]urea.
What is the SMILES notation for 1-[2-(1H-benzimidazol-2-yl)ethyl]-3-[(3,4-dichlorophenyl)methyl]urea?
The canonical SMILES for 1-[2-(1H-benzimidazol-2-yl)ethyl]-3-[(3,4-dichlorophenyl)methyl]urea is O=C(NCCc1nc2ccccc2[nH]1)NCc1ccc(Cl)c(Cl)c1.
What is the InChIKey of 1-[2-(1H-benzimidazol-2-yl)ethyl]-3-[(3,4-dichlorophenyl)methyl]urea?
The InChIKey is BCCOVEUHYKFBBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16Cl2N4O/c18-12-6-5-11(9-13(12)19)10-21-17(24)20-8-7-16-22-14-3-1-2-4-15(14)23-16/h1-6,9H,7-8,10H2,(H,22,23)(H2,20,21,24).
What are the key properties of 1-[2-(1H-benzimidazol-2-yl)ethyl]-3-[(3,4-dichlorophenyl)methyl]urea?
1-[2-(1H-benzimidazol-2-yl)ethyl]-3-[(3,4-dichlorophenyl)methyl]urea has a molecular weight of 363.25 g/mol, XLogP of 3.91, 5 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(1H-benzimidazol-2-yl)ethyl]-3-[(3,4-dichlorophenyl)methyl]urea is sourced from PubChem (CID 59018321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).