N-[2-(4-formylphenyl)-3H-benzimidazol-5-yl]-4-methylcyclohexane-1-carboxamide

C22H23N3O2 — CID 142169462

IUPACN-[2-(4-formylphenyl)-3H-benzimidazol-5-yl]-4-methylcyclohexane-1-carboxamide
SMILESCC1CCC(C(=O)Nc2ccc3nc(-c4ccc(C=O)cc4)[nH]c3c2)CC1
InChIInChI=1S/C22H23N3O2/c1-14-2-6-17(7-3-14)22(27)23-18-10-11-19-20(12-18)25-21(24-19)16-8-4-15(13-26)5-9-16/h4-5,8-14,17H,2-3,6-7H2,1H3,(H,23,27)(H,24,25)
InChIKeyKQKCZMDJISLVJG-UHFFFAOYSA-N
MW361.45 g/mol
LogP4.81
Rot. Bonds4

About N-[2-(4-formylphenyl)-3H-benzimidazol-5-yl]-4-methylcyclohexane-1-carboxamide

N-[2-(4-formylphenyl)-3H-benzimidazol-5-yl]-4-methylcyclohexane-1-carboxamide (PubChem CID 142169462) has the molecular formula C22H23N3O2 and a molecular weight of 361.45 g/mol. Its IUPAC name is N-[2-(4-formylphenyl)-3H-benzimidazol-5-yl]-4-methylcyclohexane-1-carboxamide.

Molecular Properties

Compound NameN-[2-(4-formylphenyl)-3H-benzimidazol-5-yl]-4-methylcyclohexane-1-carboxamide
PubChem CID142169462
Molecular FormulaC22H23N3O2
Molecular Weight361.45 g/mol
Exact Mass361.18
IUPAC NameN-[2-(4-formylphenyl)-3H-benzimidazol-5-yl]-4-methylcyclohexane-1-carboxamide
SMILESCC1CCC(C(=O)Nc2ccc3nc(-c4ccc(C=O)cc4)[nH]c3c2)CC1
InChIInChI=1S/C22H23N3O2/c1-14-2-6-17(7-3-14)22(27)23-18-10-11-19-20(12-18)25-21(24-19)16-8-4-15(13-26)5-9-16/h4-5,8-14,17H,2-3,6-7H2,1H3,(H,23,27)(H,24,25)
InChIKeyKQKCZMDJISLVJG-UHFFFAOYSA-N
XLogP4.81
TPSA74.85 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.45
LogP ≤ 54.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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
acetic acid;N-[4-[6-(cyclopropanecarbonylamino)-1H-benzimidazol-2-yl]phenyl]benzamide
CID 138393444
N-[4-(6-formamido-1H-benzimidazol-2-yl)phenyl]piperidine-4-carboxamide
CID 142812767
4-hydroxy-N-[2-[4-[[2-(4-hydroxycyclohexyl)-2-oxoethyl]amino]phenyl]-3H-benzimidazol-5-yl]cyclohexane-1-carboxamide
CID 142813021
N-(2-methyl-3H-benzimidazol-5-yl)cyclopropanecarboxamide
CID 53276569
N-cyclooctyl-4-[6-(cyclopentanecarbonylamino)-1H-benzimidazol-2-yl]benzamide
CID 142169240
[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
4-(6-benzamido-1H-benzimidazol-2-yl)-N-(4-methylcyclohexyl)benzamide
CID 20740000
N-[2-[4-[(2-phenylcyclopropanecarbonyl)amino]phenyl]-3H-benzimidazol-5-yl]cycloheptanecarboxamide
CID 10163584
N-[2-[4-(hexanoylamino)phenyl]-3H-benzimidazol-5-yl]-2-methylcyclopentane-1-carboxamide
CID 142813027
4-[6-[(2-methylcyclohexanecarbonyl)amino]-1H-benzimidazol-2-yl]-N-(4-methylcyclohexyl)benzamide
CID 10183841

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-formylphenyl)-3H-benzimidazol-5-yl]-4-methylcyclohexane-1-carboxamide?
The IUPAC name of N-[2-(4-formylphenyl)-3H-benzimidazol-5-yl]-4-methylcyclohexane-1-carboxamide (CID 142169462) is N-[2-(4-formylphenyl)-3H-benzimidazol-5-yl]-4-methylcyclohexane-1-carboxamide.
What is the SMILES notation for N-[2-(4-formylphenyl)-3H-benzimidazol-5-yl]-4-methylcyclohexane-1-carboxamide?
The canonical SMILES for N-[2-(4-formylphenyl)-3H-benzimidazol-5-yl]-4-methylcyclohexane-1-carboxamide is CC1CCC(C(=O)Nc2ccc3nc(-c4ccc(C=O)cc4)[nH]c3c2)CC1.
What is the InChIKey of N-[2-(4-formylphenyl)-3H-benzimidazol-5-yl]-4-methylcyclohexane-1-carboxamide?
The InChIKey is KQKCZMDJISLVJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N3O2/c1-14-2-6-17(7-3-14)22(27)23-18-10-11-19-20(12-18)25-21(24-19)16-8-4-15(13-26)5-9-16/h4-5,8-14,17H,2-3,6-7H2,1H3,(H,23,27)(H,24,25).
What are the key properties of N-[2-(4-formylphenyl)-3H-benzimidazol-5-yl]-4-methylcyclohexane-1-carboxamide?
N-[2-(4-formylphenyl)-3H-benzimidazol-5-yl]-4-methylcyclohexane-1-carboxamide has a molecular weight of 361.45 g/mol, XLogP of 4.81, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-formylphenyl)-3H-benzimidazol-5-yl]-4-methylcyclohexane-1-carboxamide is sourced from PubChem (CID 142169462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).