[6-[2-(phenylcarbamoylamino)benzoyl]-1H-benzimidazol-2-yl] N-methylcarbamate

C23H19N5O4 — CID 91254377

IUPAC[6-[2-(phenylcarbamoylamino)benzoyl]-1H-benzimidazol-2-yl] N-methylcarbamate
SMILESCNC(=O)Oc1nc2ccc(C(=O)c3ccccc3NC(=O)Nc3ccccc3)cc2[nH]1
InChIInChI=1S/C23H19N5O4/c1-24-23(31)32-22-27-18-12-11-14(13-19(18)28-22)20(29)16-9-5-6-10-17(16)26-21(30)25-15-7-3-2-4-8-15/h2-13H,1H3,(H,24,31)(H,27,28)(H2,25,26,30)
InChIKeyLKSGFAMEJZJVEQ-UHFFFAOYSA-N
MW429.44 g/mol
LogP4.16
Rot. Bonds5

About [6-[2-(phenylcarbamoylamino)benzoyl]-1H-benzimidazol-2-yl] N-methylcarbamate

[6-[2-(phenylcarbamoylamino)benzoyl]-1H-benzimidazol-2-yl] N-methylcarbamate (PubChem CID 91254377) has the molecular formula C23H19N5O4 and a molecular weight of 429.44 g/mol. Its IUPAC name is [6-[2-(phenylcarbamoylamino)benzoyl]-1H-benzimidazol-2-yl] N-methylcarbamate.

Molecular Properties

Compound Name[6-[2-(phenylcarbamoylamino)benzoyl]-1H-benzimidazol-2-yl] N-methylcarbamate
PubChem CID91254377
Molecular FormulaC23H19N5O4
Molecular Weight429.44 g/mol
Exact Mass429.14
IUPAC Name[6-[2-(phenylcarbamoylamino)benzoyl]-1H-benzimidazol-2-yl] N-methylcarbamate
SMILESCNC(=O)Oc1nc2ccc(C(=O)c3ccccc3NC(=O)Nc3ccccc3)cc2[nH]1
InChIInChI=1S/C23H19N5O4/c1-24-23(31)32-22-27-18-12-11-14(13-19(18)28-22)20(29)16-9-5-6-10-17(16)26-21(30)25-15-7-3-2-4-8-15/h2-13H,1H3,(H,24,31)(H,27,28)(H2,25,26,30)
InChIKeyLKSGFAMEJZJVEQ-UHFFFAOYSA-N
XLogP4.16
TPSA125.21 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.44
LogP ≤ 54.16
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Related Compounds

[6-(1,2-dichloroethenyl)-1H-benzimidazol-2-yl] N-methylcarbamate
CID 54358908
1-[2-(3-chlorobenzoyl)phenyl]-3-phenylurea
CID 4738250
ethyl 4-[(2-benzoylphenyl)carbamoylamino]benzoate
CID 46859858
[6-(2-benzamidobenzoyl)-1H-benzimidazol-2-yl]carbamoyl 2,2,2-trifluoroacetate
CID 87532665
N-phenyl-2-[[2-(phenylcarbamoyl)phenyl]carbamoylamino]benzamide
CID 139684594
benzyl 2-[2-(methoxycarbonylamino)-3H-benzimidazole-5-carbonyl]benzoate
CID 67044728
methyl N-[6-[2-[(3-methoxyphenyl)carbamoyl]benzoyl]-1H-benzimidazol-2-yl]carbamate
CID 91428587
methyl N-[6-(2,4-dihydroxybenzoyl)-1H-benzimidazol-2-yl]carbamate
CID 118728666
N-(2-carbamoylphenyl)-2-methyl-3H-benzimidazole-5-carboxamide
CID 110692517
methyl N-[6-[2-[(5-bromo-2-methylphenyl)carbamoyl]benzoyl]-1H-benzimidazol-2-yl]carbamate
CID 90833199
1H-benzimidazol-2-yl N-aminocarbamate
CID 174816484
1-phenyl-3-[3-(phenylcarbamoylamino)phenazin-2-yl]urea
CID 102390231

Frequently Asked Questions

What is the IUPAC name of [6-[2-(phenylcarbamoylamino)benzoyl]-1H-benzimidazol-2-yl] N-methylcarbamate?
The IUPAC name of [6-[2-(phenylcarbamoylamino)benzoyl]-1H-benzimidazol-2-yl] N-methylcarbamate (CID 91254377) is [6-[2-(phenylcarbamoylamino)benzoyl]-1H-benzimidazol-2-yl] N-methylcarbamate.
What is the SMILES notation for [6-[2-(phenylcarbamoylamino)benzoyl]-1H-benzimidazol-2-yl] N-methylcarbamate?
The canonical SMILES for [6-[2-(phenylcarbamoylamino)benzoyl]-1H-benzimidazol-2-yl] N-methylcarbamate is CNC(=O)Oc1nc2ccc(C(=O)c3ccccc3NC(=O)Nc3ccccc3)cc2[nH]1.
What is the InChIKey of [6-[2-(phenylcarbamoylamino)benzoyl]-1H-benzimidazol-2-yl] N-methylcarbamate?
The InChIKey is LKSGFAMEJZJVEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19N5O4/c1-24-23(31)32-22-27-18-12-11-14(13-19(18)28-22)20(29)16-9-5-6-10-17(16)26-21(30)25-15-7-3-2-4-8-15/h2-13H,1H3,(H,24,31)(H,27,28)(H2,25,26,30).
What are the key properties of [6-[2-(phenylcarbamoylamino)benzoyl]-1H-benzimidazol-2-yl] N-methylcarbamate?
[6-[2-(phenylcarbamoylamino)benzoyl]-1H-benzimidazol-2-yl] N-methylcarbamate has a molecular weight of 429.44 g/mol, XLogP of 4.16, 5 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [6-[2-(phenylcarbamoylamino)benzoyl]-1H-benzimidazol-2-yl] N-methylcarbamate is sourced from PubChem (CID 91254377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).