methyl N-[3-[[4-(benzimidazol-1-yl)benzoyl]amino]phenyl]carbamate

C22H18N4O3 — CID 87037290

IUPACmethyl N-[3-[[4-(benzimidazol-1-yl)benzoyl]amino]phenyl]carbamate
SMILESCOC(=O)Nc1cccc(NC(=O)c2ccc(-n3cnc4ccccc43)cc2)c1
InChIInChI=1S/C22H18N4O3/c1-29-22(28)25-17-6-4-5-16(13-17)24-21(27)15-9-11-18(12-10-15)26-14-23-19-7-2-3-8-20(19)26/h2-14H,1H3,(H,24,27)(H,25,28)
InChIKeyWQWDMJXZMDSRLE-UHFFFAOYSA-N
MW386.41 g/mol
LogP4.46
Rot. Bonds4

About methyl N-[3-[[4-(benzimidazol-1-yl)benzoyl]amino]phenyl]carbamate

methyl N-[3-[[4-(benzimidazol-1-yl)benzoyl]amino]phenyl]carbamate (PubChem CID 87037290) has the molecular formula C22H18N4O3 and a molecular weight of 386.41 g/mol. Its IUPAC name is methyl N-[3-[[4-(benzimidazol-1-yl)benzoyl]amino]phenyl]carbamate.

Molecular Properties

Compound Namemethyl N-[3-[[4-(benzimidazol-1-yl)benzoyl]amino]phenyl]carbamate
PubChem CID87037290
Molecular FormulaC22H18N4O3
Molecular Weight386.41 g/mol
Exact Mass386.14
IUPAC Namemethyl N-[3-[[4-(benzimidazol-1-yl)benzoyl]amino]phenyl]carbamate
SMILESCOC(=O)Nc1cccc(NC(=O)c2ccc(-n3cnc4ccccc43)cc2)c1
InChIInChI=1S/C22H18N4O3/c1-29-22(28)25-17-6-4-5-16(13-17)24-21(27)15-9-11-18(12-10-15)26-14-23-19-7-2-3-8-20(19)26/h2-14H,1H3,(H,24,27)(H,25,28)
InChIKeyWQWDMJXZMDSRLE-UHFFFAOYSA-N
XLogP4.46
TPSA85.25 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.41
LogP ≤ 54.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

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4-(benzimidazol-1-yl)-N-[3-(sulfamoylmethyl)phenyl]benzamide
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methyl 3-[[4-(benzimidazol-1-yl)benzoyl]amino]-2-hydroxybenzoate
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4-(acetamidomethyl)-N-[4-(benzimidazol-1-yl)phenyl]benzamide
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4-(benzimidazol-1-yl)-N-[4-(ethylsulfonylamino)-3-methylphenyl]benzamide
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4-(benzimidazol-1-yl)-N-[4-methoxy-3-(2-oxopiperidin-1-yl)phenyl]benzamide
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N-[4-(benzimidazol-1-yl)phenyl]-2-methoxybenzamide
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Frequently Asked Questions

What is the IUPAC name of methyl N-[3-[[4-(benzimidazol-1-yl)benzoyl]amino]phenyl]carbamate?
The IUPAC name of methyl N-[3-[[4-(benzimidazol-1-yl)benzoyl]amino]phenyl]carbamate (CID 87037290) is methyl N-[3-[[4-(benzimidazol-1-yl)benzoyl]amino]phenyl]carbamate.
What is the SMILES notation for methyl N-[3-[[4-(benzimidazol-1-yl)benzoyl]amino]phenyl]carbamate?
The canonical SMILES for methyl N-[3-[[4-(benzimidazol-1-yl)benzoyl]amino]phenyl]carbamate is COC(=O)Nc1cccc(NC(=O)c2ccc(-n3cnc4ccccc43)cc2)c1.
What is the InChIKey of methyl N-[3-[[4-(benzimidazol-1-yl)benzoyl]amino]phenyl]carbamate?
The InChIKey is WQWDMJXZMDSRLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18N4O3/c1-29-22(28)25-17-6-4-5-16(13-17)24-21(27)15-9-11-18(12-10-15)26-14-23-19-7-2-3-8-20(19)26/h2-14H,1H3,(H,24,27)(H,25,28).
What are the key properties of methyl N-[3-[[4-(benzimidazol-1-yl)benzoyl]amino]phenyl]carbamate?
methyl N-[3-[[4-(benzimidazol-1-yl)benzoyl]amino]phenyl]carbamate has a molecular weight of 386.41 g/mol, XLogP of 4.46, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-[3-[[4-(benzimidazol-1-yl)benzoyl]amino]phenyl]carbamate is sourced from PubChem (CID 87037290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).