N-[3H-benzimidazol-5-yl(phenyl)methyl]-3-(carbamoylamino)benzamide

C22H19N5O2 — CID 78839231

IUPACN-[3H-benzimidazol-5-yl(phenyl)methyl]-3-(carbamoylamino)benzamide
SMILESNC(=O)Nc1cccc(C(=O)NC(c2ccccc2)c2ccc3nc[nH]c3c2)c1
InChIInChI=1S/C22H19N5O2/c23-22(29)26-17-8-4-7-16(11-17)21(28)27-20(14-5-2-1-3-6-14)15-9-10-18-19(12-15)25-13-24-18/h1-13,20H,(H,24,25)(H,27,28)(H3,23,26,29)
InChIKeyRHKULKZPAGNIBY-UHFFFAOYSA-N
MW385.43 g/mol
LogP3.57
Rot. Bonds5

About N-[3H-benzimidazol-5-yl(phenyl)methyl]-3-(carbamoylamino)benzamide

N-[3H-benzimidazol-5-yl(phenyl)methyl]-3-(carbamoylamino)benzamide (PubChem CID 78839231) has the molecular formula C22H19N5O2 and a molecular weight of 385.43 g/mol. Its IUPAC name is N-[3H-benzimidazol-5-yl(phenyl)methyl]-3-(carbamoylamino)benzamide.

Molecular Properties

Compound NameN-[3H-benzimidazol-5-yl(phenyl)methyl]-3-(carbamoylamino)benzamide
PubChem CID78839231
Molecular FormulaC22H19N5O2
Molecular Weight385.43 g/mol
Exact Mass385.15
IUPAC NameN-[3H-benzimidazol-5-yl(phenyl)methyl]-3-(carbamoylamino)benzamide
SMILESNC(=O)Nc1cccc(C(=O)NC(c2ccccc2)c2ccc3nc[nH]c3c2)c1
InChIInChI=1S/C22H19N5O2/c23-22(29)26-17-8-4-7-16(11-17)21(28)27-20(14-5-2-1-3-6-14)15-9-10-18-19(12-15)25-13-24-18/h1-13,20H,(H,24,25)(H,27,28)(H3,23,26,29)
InChIKeyRHKULKZPAGNIBY-UHFFFAOYSA-N
XLogP3.57
TPSA112.90 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.43
LogP ≤ 53.57
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

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Related Compounds

3-(carbamoylamino)-N-[phenyl(pyridin-2-yl)methyl]benzamide
CID 78779505
N-[3H-benzimidazol-5-yl(phenyl)methyl]-3-(diethylsulfamoyl)benzamide
CID 17459495
N-(3-carbamoylphenyl)-3H-benzimidazole-5-carboxamide
CID 60630265
N-[3H-benzimidazol-5-yl(phenyl)methyl]-3,4-dimethyl-5-sulfamoylbenzamide
CID 78839242
N-[(S)-phenyl(thiophen-2-yl)methyl]-3H-benzimidazole-5-carboxamide
CID 27885939
N-[3H-benzimidazol-5-yl(phenyl)methyl]-2,4-dimethylbenzamide
CID 78836794
N-[3H-benzimidazol-5-yl(phenyl)methyl]-3-bromothiophene-2-carboxamide
CID 78886873
N-[3H-benzimidazol-5-yl(phenyl)methyl]-4-(piperidin-1-ylmethyl)benzamide
CID 24621595
N-[3H-benzimidazol-5-yl(phenyl)methyl]-2-methyl-3-(methylamino)propanamide;dihydrochloride
CID 119840627
N-[3H-benzimidazol-5-yl(phenyl)methyl]-3-ethyl-2,4-dioxo-1H-quinazoline-7-carboxamide
CID 78894239
N-[3H-benzimidazol-5-yl(phenyl)methyl]cyclobutanecarboxamide
CID 47018726
N-[3H-benzimidazol-5-yl(phenyl)methyl]-2-hydroxy-4-methoxybenzamide
CID 112809173

Frequently Asked Questions

What is the IUPAC name of N-[3H-benzimidazol-5-yl(phenyl)methyl]-3-(carbamoylamino)benzamide?
The IUPAC name of N-[3H-benzimidazol-5-yl(phenyl)methyl]-3-(carbamoylamino)benzamide (CID 78839231) is N-[3H-benzimidazol-5-yl(phenyl)methyl]-3-(carbamoylamino)benzamide.
What is the SMILES notation for N-[3H-benzimidazol-5-yl(phenyl)methyl]-3-(carbamoylamino)benzamide?
The canonical SMILES for N-[3H-benzimidazol-5-yl(phenyl)methyl]-3-(carbamoylamino)benzamide is NC(=O)Nc1cccc(C(=O)NC(c2ccccc2)c2ccc3nc[nH]c3c2)c1.
What is the InChIKey of N-[3H-benzimidazol-5-yl(phenyl)methyl]-3-(carbamoylamino)benzamide?
The InChIKey is RHKULKZPAGNIBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19N5O2/c23-22(29)26-17-8-4-7-16(11-17)21(28)27-20(14-5-2-1-3-6-14)15-9-10-18-19(12-15)25-13-24-18/h1-13,20H,(H,24,25)(H,27,28)(H3,23,26,29).
What are the key properties of N-[3H-benzimidazol-5-yl(phenyl)methyl]-3-(carbamoylamino)benzamide?
N-[3H-benzimidazol-5-yl(phenyl)methyl]-3-(carbamoylamino)benzamide has a molecular weight of 385.43 g/mol, XLogP of 3.57, 5 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3H-benzimidazol-5-yl(phenyl)methyl]-3-(carbamoylamino)benzamide is sourced from PubChem (CID 78839231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).