N-[4-(6-formamido-1H-benzimidazol-2-yl)phenyl]piperidine-4-carboxamide

C20H21N5O2 — CID 142812767

IUPACN-[4-(6-formamido-1H-benzimidazol-2-yl)phenyl]piperidine-4-carboxamide
SMILESO=CNc1ccc2nc(-c3ccc(NC(=O)C4CCNCC4)cc3)[nH]c2c1
InChIInChI=1S/C20H21N5O2/c26-12-22-16-5-6-17-18(11-16)25-19(24-17)13-1-3-15(4-2-13)23-20(27)14-7-9-21-10-8-14/h1-6,11-12,14,21H,7-10H2,(H,22,26)(H,23,27)(H,24,25)
InChIKeyTZKPCFRTTSDVTC-UHFFFAOYSA-N
MW363.42 g/mol
LogP2.74
Rot. Bonds5

About N-[4-(6-formamido-1H-benzimidazol-2-yl)phenyl]piperidine-4-carboxamide

N-[4-(6-formamido-1H-benzimidazol-2-yl)phenyl]piperidine-4-carboxamide (PubChem CID 142812767) has the molecular formula C20H21N5O2 and a molecular weight of 363.42 g/mol. Its IUPAC name is N-[4-(6-formamido-1H-benzimidazol-2-yl)phenyl]piperidine-4-carboxamide.

Molecular Properties

Compound NameN-[4-(6-formamido-1H-benzimidazol-2-yl)phenyl]piperidine-4-carboxamide
PubChem CID142812767
Molecular FormulaC20H21N5O2
Molecular Weight363.42 g/mol
Exact Mass363.17
IUPAC NameN-[4-(6-formamido-1H-benzimidazol-2-yl)phenyl]piperidine-4-carboxamide
SMILESO=CNc1ccc2nc(-c3ccc(NC(=O)C4CCNCC4)cc3)[nH]c2c1
InChIInChI=1S/C20H21N5O2/c26-12-22-16-5-6-17-18(11-16)25-19(24-17)13-1-3-15(4-2-13)23-20(27)14-7-9-21-10-8-14/h1-6,11-12,14,21H,7-10H2,(H,22,26)(H,23,27)(H,24,25)
InChIKeyTZKPCFRTTSDVTC-UHFFFAOYSA-N
XLogP2.74
TPSA98.91 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.42
LogP ≤ 52.74
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

4-hydroxy-N-[4-[6-[(4-hydroxycyclohexanecarbonyl)amino]-1H-benzimidazol-2-yl]phenyl]cyclohexane-1-carboxamide
CID 10140436
N-[2-(4-formylphenyl)-3H-benzimidazol-5-yl]-4-methylcyclohexane-1-carboxamide
CID 142169462
acetic acid;N-[4-[6-(cyclopropanecarbonylamino)-1H-benzimidazol-2-yl]phenyl]benzamide
CID 138393444
N-[2-(4-fluorophenyl)-3H-benzimidazol-5-yl]piperidine-3-carboxamide;dihydrochloride
CID 119854445
[4-[[2-[4-(cyclopentanecarbonylamino)phenyl]-3H-benzimidazol-5-yl]carbamoyl]phenyl]chloranium
CID 142812894
N-[2-[4-(cyclohexanecarbonylamino)phenyl]-3H-benzimidazol-5-yl]bicyclo[2.2.1]heptane-2-carboxamide
CID 10161461
N-[2-[4-[(2-phenylcyclopropanecarbonyl)amino]phenyl]-3H-benzimidazol-5-yl]cycloheptanecarboxamide
CID 10163584
N-[4-(1H-benzimidazol-2-yl)phenyl]cyclohexanecarboxamide
CID 2465476
2-[4-(cyclohexanecarbonylamino)phenyl]-N-phenyl-3H-benzimidazole-5-carboxamide
CID 11407983
N-cyclooctyl-4-[6-(cyclopentanecarbonylamino)-1H-benzimidazol-2-yl]benzamide
CID 142169240
4-hydroxy-N-[2-[4-[[2-(4-hydroxycyclohexyl)-2-oxoethyl]amino]phenyl]-3H-benzimidazol-5-yl]cyclohexane-1-carboxamide
CID 142813021
N-[3-(1H-benzimidazol-2-yl)phenyl]piperidine-4-carboxamide;dihydrochloride
CID 119832390

Frequently Asked Questions

What is the IUPAC name of N-[4-(6-formamido-1H-benzimidazol-2-yl)phenyl]piperidine-4-carboxamide?
The IUPAC name of N-[4-(6-formamido-1H-benzimidazol-2-yl)phenyl]piperidine-4-carboxamide (CID 142812767) is N-[4-(6-formamido-1H-benzimidazol-2-yl)phenyl]piperidine-4-carboxamide.
What is the SMILES notation for N-[4-(6-formamido-1H-benzimidazol-2-yl)phenyl]piperidine-4-carboxamide?
The canonical SMILES for N-[4-(6-formamido-1H-benzimidazol-2-yl)phenyl]piperidine-4-carboxamide is O=CNc1ccc2nc(-c3ccc(NC(=O)C4CCNCC4)cc3)[nH]c2c1.
What is the InChIKey of N-[4-(6-formamido-1H-benzimidazol-2-yl)phenyl]piperidine-4-carboxamide?
The InChIKey is TZKPCFRTTSDVTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N5O2/c26-12-22-16-5-6-17-18(11-16)25-19(24-17)13-1-3-15(4-2-13)23-20(27)14-7-9-21-10-8-14/h1-6,11-12,14,21H,7-10H2,(H,22,26)(H,23,27)(H,24,25).
What are the key properties of N-[4-(6-formamido-1H-benzimidazol-2-yl)phenyl]piperidine-4-carboxamide?
N-[4-(6-formamido-1H-benzimidazol-2-yl)phenyl]piperidine-4-carboxamide has a molecular weight of 363.42 g/mol, XLogP of 2.74, 5 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(6-formamido-1H-benzimidazol-2-yl)phenyl]piperidine-4-carboxamide is sourced from PubChem (CID 142812767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).