N-[4-(1,3,4,5-tetrahydro-[1,4]diazepino[1,2-a]benzimidazol-2-yl)phenyl]cyclohexanecarboxamide

C24H28N4O — CID 29133413

IUPACN-[4-(1,3,4,5-tetrahydro-[1,4]diazepino[1,2-a]benzimidazol-2-yl)phenyl]cyclohexanecarboxamide
SMILESO=C(Nc1ccc(N2CCCn3c(nc4ccccc43)C2)cc1)C1CCCCC1
InChIInChI=1S/C24H28N4O/c29-24(18-7-2-1-3-8-18)25-19-11-13-20(14-12-19)27-15-6-16-28-22-10-5-4-9-21(22)26-23(28)17-27/h4-5,9-14,18H,1-3,6-8,15-17H2,(H,25,29)
InChIKeyCZHUECAYDODXMJ-UHFFFAOYSA-N
MW388.51 g/mol
LogP4.97
Rot. Bonds3

About N-[4-(1,3,4,5-tetrahydro-[1,4]diazepino[1,2-a]benzimidazol-2-yl)phenyl]cyclohexanecarboxamide

N-[4-(1,3,4,5-tetrahydro-[1,4]diazepino[1,2-a]benzimidazol-2-yl)phenyl]cyclohexanecarboxamide (PubChem CID 29133413) has the molecular formula C24H28N4O and a molecular weight of 388.51 g/mol. Its IUPAC name is N-[4-(1,3,4,5-tetrahydro-[1,4]diazepino[1,2-a]benzimidazol-2-yl)phenyl]cyclohexanecarboxamide.

Molecular Properties

Compound NameN-[4-(1,3,4,5-tetrahydro-[1,4]diazepino[1,2-a]benzimidazol-2-yl)phenyl]cyclohexanecarboxamide
PubChem CID29133413
Molecular FormulaC24H28N4O
Molecular Weight388.51 g/mol
Exact Mass388.23
IUPAC NameN-[4-(1,3,4,5-tetrahydro-[1,4]diazepino[1,2-a]benzimidazol-2-yl)phenyl]cyclohexanecarboxamide
SMILESO=C(Nc1ccc(N2CCCn3c(nc4ccccc43)C2)cc1)C1CCCCC1
InChIInChI=1S/C24H28N4O/c29-24(18-7-2-1-3-8-18)25-19-11-13-20(14-12-19)27-15-6-16-28-22-10-5-4-9-21(22)26-23(28)17-27/h4-5,9-14,18H,1-3,6-8,15-17H2,(H,25,29)
InChIKeyCZHUECAYDODXMJ-UHFFFAOYSA-N
XLogP4.97
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.51
LogP ≤ 54.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

N-[4-(1,3,4,5-tetrahydro-[1,4]diazepino[1,2-a]benzimidazol-2-yl)phenyl]furan-2-carboxamide
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CID 41491961
N-[2-[(1S)-1-phenylethyl]-3,4-dihydro-1H-pyrazino[1,2-a]benzimidazol-8-yl]cyclohexanecarboxamide
CID 1266771
2-methyl-N-[3-(1,3,4,5-tetrahydro-[1,4]diazepino[1,2-a]benzimidazol-2-yl)phenyl]propanamide
CID 45491338
1-(1-methylbenzimidazol-2-yl)-N-(4-morpholin-4-ylphenyl)piperidine-3-carboxamide
CID 16669340
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CID 30795120
1-[3-(3,4-dihydro-1H-pyrazino[1,2-a]benzimidazol-2-yl)phenyl]-3-phenylurea
CID 46268832
N-[4-[2-(1-phenylbenzimidazol-2-yl)ethyl]phenyl]cyclohexanecarboxamide
CID 46290501
1-(1,3-benzoxazol-2-yl)-N-(7,8,9,10-tetrahydro-6H-azepino[1,2-a]benzimidazol-3-yl)piperidine-4-carboxamide
CID 16596057
1-N-cyclopentyl-4-N-(4-piperidin-1-ylphenyl)cyclohexane-1,4-dicarboxamide
CID 109145891
N-[4-[4-(cyclohexanecarbonyl)piperazin-1-yl]phenyl]cyclobutanecarboxamide
CID 1055992
N-[4-(cyclopropanecarbonylamino)phenyl]cyclohexanecarboxamide
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Frequently Asked Questions

What is the IUPAC name of N-[4-(1,3,4,5-tetrahydro-[1,4]diazepino[1,2-a]benzimidazol-2-yl)phenyl]cyclohexanecarboxamide?
The IUPAC name of N-[4-(1,3,4,5-tetrahydro-[1,4]diazepino[1,2-a]benzimidazol-2-yl)phenyl]cyclohexanecarboxamide (CID 29133413) is N-[4-(1,3,4,5-tetrahydro-[1,4]diazepino[1,2-a]benzimidazol-2-yl)phenyl]cyclohexanecarboxamide.
What is the SMILES notation for N-[4-(1,3,4,5-tetrahydro-[1,4]diazepino[1,2-a]benzimidazol-2-yl)phenyl]cyclohexanecarboxamide?
The canonical SMILES for N-[4-(1,3,4,5-tetrahydro-[1,4]diazepino[1,2-a]benzimidazol-2-yl)phenyl]cyclohexanecarboxamide is O=C(Nc1ccc(N2CCCn3c(nc4ccccc43)C2)cc1)C1CCCCC1.
What is the InChIKey of N-[4-(1,3,4,5-tetrahydro-[1,4]diazepino[1,2-a]benzimidazol-2-yl)phenyl]cyclohexanecarboxamide?
The InChIKey is CZHUECAYDODXMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N4O/c29-24(18-7-2-1-3-8-18)25-19-11-13-20(14-12-19)27-15-6-16-28-22-10-5-4-9-21(22)26-23(28)17-27/h4-5,9-14,18H,1-3,6-8,15-17H2,(H,25,29).
What are the key properties of N-[4-(1,3,4,5-tetrahydro-[1,4]diazepino[1,2-a]benzimidazol-2-yl)phenyl]cyclohexanecarboxamide?
N-[4-(1,3,4,5-tetrahydro-[1,4]diazepino[1,2-a]benzimidazol-2-yl)phenyl]cyclohexanecarboxamide has a molecular weight of 388.51 g/mol, XLogP of 4.97, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(1,3,4,5-tetrahydro-[1,4]diazepino[1,2-a]benzimidazol-2-yl)phenyl]cyclohexanecarboxamide is sourced from PubChem (CID 29133413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).