4-(2-oxo-1,3-dihydrobenzimidazole-5-carbonyl)-N-phenylpiperazine-1-carboxamide

C19H19N5O3 — CID 110400210

IUPAC4-(2-oxo-1,3-dihydrobenzimidazole-5-carbonyl)-N-phenylpiperazine-1-carboxamide
SMILESO=C(Nc1ccccc1)N1CCN(C(=O)c2ccc3[nH]c(=O)[nH]c3c2)CC1
InChIInChI=1S/C19H19N5O3/c25-17(13-6-7-15-16(12-13)22-18(26)21-15)23-8-10-24(11-9-23)19(27)20-14-4-2-1-3-5-14/h1-7,12H,8-11H2,(H,20,27)(H2,21,22,26)
InChIKeyCKKAIKPORABIIA-UHFFFAOYSA-N
MW365.39 g/mol
LogP1.85
Rot. Bonds2

About 4-(2-oxo-1,3-dihydrobenzimidazole-5-carbonyl)-N-phenylpiperazine-1-carboxamide

4-(2-oxo-1,3-dihydrobenzimidazole-5-carbonyl)-N-phenylpiperazine-1-carboxamide (PubChem CID 110400210) has the molecular formula C19H19N5O3 and a molecular weight of 365.39 g/mol. Its IUPAC name is 4-(2-oxo-1,3-dihydrobenzimidazole-5-carbonyl)-N-phenylpiperazine-1-carboxamide.

Molecular Properties

Compound Name4-(2-oxo-1,3-dihydrobenzimidazole-5-carbonyl)-N-phenylpiperazine-1-carboxamide
PubChem CID110400210
Molecular FormulaC19H19N5O3
Molecular Weight365.39 g/mol
Exact Mass365.15
IUPAC Name4-(2-oxo-1,3-dihydrobenzimidazole-5-carbonyl)-N-phenylpiperazine-1-carboxamide
SMILESO=C(Nc1ccccc1)N1CCN(C(=O)c2ccc3[nH]c(=O)[nH]c3c2)CC1
InChIInChI=1S/C19H19N5O3/c25-17(13-6-7-15-16(12-13)22-18(26)21-15)23-8-10-24(11-9-23)19(27)20-14-4-2-1-3-5-14/h1-7,12H,8-11H2,(H,20,27)(H2,21,22,26)
InChIKeyCKKAIKPORABIIA-UHFFFAOYSA-N
XLogP1.85
TPSA101.30 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.39
LogP ≤ 51.85
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

5-(4-benzylpiperazine-1-carbonyl)-1,3-dihydrobenzimidazol-2-one
CID 110692320
5-[4-(1H-pyrrole-2-carbonyl)piperazine-1-carbonyl]-1,3-dihydrobenzimidazol-2-one
CID 110815622
5-[4-(2,2-dimethylpropanoyl)piperazine-1-carbonyl]-1,3-dihydrobenzimidazol-2-one
CID 110400185
4-(3-bromobenzoyl)-N-phenylpiperazine-1-carboxamide
CID 110637812
5-[4-(4-propan-2-ylbenzoyl)piperazine-1-carbonyl]-1,3-dihydrobenzimidazol-2-one
CID 110400197
5-(4-benzylpiperidine-1-carbonyl)-1,3-dihydrobenzimidazol-2-one
CID 110692348
5-[2-(4-benzoylpiperazin-1-yl)-2-oxoethyl]-1,3-dihydrobenzimidazol-2-one
CID 110802098
5-(4-pentanoylpiperazine-1-carbonyl)-1,3-dihydrobenzimidazol-2-one
CID 110400181
5-[4-(furan-2-carbonyl)-1,4-diazepane-1-carbonyl]-1,3-dihydrobenzimidazol-2-one
CID 110807796
4-benzoyl-N-(3-methylphenyl)piperazine-1-carboxamide
CID 18101727
N-phenyl-4-(thiophene-2-carbonyl)piperazine-1-carboxamide
CID 51186037
4-benzoyl-N-[4-(4-methylpiperidine-1-carbonyl)phenyl]piperazine-1-carboxamide
CID 60546042

Frequently Asked Questions

What is the IUPAC name of 4-(2-oxo-1,3-dihydrobenzimidazole-5-carbonyl)-N-phenylpiperazine-1-carboxamide?
The IUPAC name of 4-(2-oxo-1,3-dihydrobenzimidazole-5-carbonyl)-N-phenylpiperazine-1-carboxamide (CID 110400210) is 4-(2-oxo-1,3-dihydrobenzimidazole-5-carbonyl)-N-phenylpiperazine-1-carboxamide.
What is the SMILES notation for 4-(2-oxo-1,3-dihydrobenzimidazole-5-carbonyl)-N-phenylpiperazine-1-carboxamide?
The canonical SMILES for 4-(2-oxo-1,3-dihydrobenzimidazole-5-carbonyl)-N-phenylpiperazine-1-carboxamide is O=C(Nc1ccccc1)N1CCN(C(=O)c2ccc3[nH]c(=O)[nH]c3c2)CC1.
What is the InChIKey of 4-(2-oxo-1,3-dihydrobenzimidazole-5-carbonyl)-N-phenylpiperazine-1-carboxamide?
The InChIKey is CKKAIKPORABIIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N5O3/c25-17(13-6-7-15-16(12-13)22-18(26)21-15)23-8-10-24(11-9-23)19(27)20-14-4-2-1-3-5-14/h1-7,12H,8-11H2,(H,20,27)(H2,21,22,26).
What are the key properties of 4-(2-oxo-1,3-dihydrobenzimidazole-5-carbonyl)-N-phenylpiperazine-1-carboxamide?
4-(2-oxo-1,3-dihydrobenzimidazole-5-carbonyl)-N-phenylpiperazine-1-carboxamide has a molecular weight of 365.39 g/mol, XLogP of 1.85, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-oxo-1,3-dihydrobenzimidazole-5-carbonyl)-N-phenylpiperazine-1-carboxamide is sourced from PubChem (CID 110400210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).