N-[3-[(1-cyclohexylbenzimidazol-2-yl)amino]propyl]cyclohexanecarboxamide

C23H34N4O — CID 46106721

IUPACN-[3-[(1-cyclohexylbenzimidazol-2-yl)amino]propyl]cyclohexanecarboxamide
SMILESO=C(NCCCNc1nc2ccccc2n1C1CCCCC1)C1CCCCC1
InChIInChI=1S/C23H34N4O/c28-22(18-10-3-1-4-11-18)24-16-9-17-25-23-26-20-14-7-8-15-21(20)27(23)19-12-5-2-6-13-19/h7-8,14-15,18-19H,1-6,9-13,16-17H2,(H,24,28)(H,25,26)
InChIKeyLNFRMDVKMKZVDF-UHFFFAOYSA-N
MW382.55 g/mol
LogP5.04
Rot. Bonds7

About N-[3-[(1-cyclohexylbenzimidazol-2-yl)amino]propyl]cyclohexanecarboxamide

N-[3-[(1-cyclohexylbenzimidazol-2-yl)amino]propyl]cyclohexanecarboxamide (PubChem CID 46106721) has the molecular formula C23H34N4O and a molecular weight of 382.55 g/mol. Its IUPAC name is N-[3-[(1-cyclohexylbenzimidazol-2-yl)amino]propyl]cyclohexanecarboxamide.

Molecular Properties

Compound NameN-[3-[(1-cyclohexylbenzimidazol-2-yl)amino]propyl]cyclohexanecarboxamide
PubChem CID46106721
Molecular FormulaC23H34N4O
Molecular Weight382.55 g/mol
Exact Mass382.27
IUPAC NameN-[3-[(1-cyclohexylbenzimidazol-2-yl)amino]propyl]cyclohexanecarboxamide
SMILESO=C(NCCCNc1nc2ccccc2n1C1CCCCC1)C1CCCCC1
InChIInChI=1S/C23H34N4O/c28-22(18-10-3-1-4-11-18)24-16-9-17-25-23-26-20-14-7-8-15-21(20)27(23)19-12-5-2-6-13-19/h7-8,14-15,18-19H,1-6,9-13,16-17H2,(H,24,28)(H,25,26)
InChIKeyLNFRMDVKMKZVDF-UHFFFAOYSA-N
XLogP5.04
TPSA58.95 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500382.55
LogP ≤ 55.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

cis-(1S,2R)-N-[3-[(1-cyclohexylbenzimidazol-2-yl)amino]-3-oxopropyl]-2-methylcyclopropane-1-carboxamide
CID 94103495
N-[2-[(1-cyclohexylbenzimidazol-2-yl)amino]-2-oxoethyl]propanamide
CID 47078417
N-[5-(1-ethylbenzimidazol-2-yl)pentyl]cyclohexanecarboxamide
CID 16988943
N-[3-(1-prop-2-ynylbenzimidazol-2-yl)propyl]cyclohexanecarboxamide
CID 16981538
N-[3-[1-(2-oxo-2-piperidin-1-ylethyl)benzimidazol-2-yl]propyl]cyclohexanecarboxamide
CID 16981590
N-[5-(1-prop-2-ynylbenzimidazol-2-yl)pentyl]cyclohexanecarboxamide
CID 16988950
N-[3-(1-hexylbenzimidazol-2-yl)propyl]cyclohexanecarboxamide
CID 18888908
N-(1-cyclohexylbenzimidazol-2-yl)-2-methyl-3-(methylamino)propanamide;hydrochloride
CID 119732157
N-[3-[1-[(1R)-1-phenylethyl]benzimidazol-2-yl]propyl]cyclohexanecarboxamide
CID 40639636
N-benzyl-1-(1-cyclopentylbenzimidazol-2-yl)piperidine-4-carboxamide
CID 46106625
N-(1-cyclohexylbenzimidazol-2-yl)-2-(2-oxopiperidin-1-yl)acetamide
CID 78892320
N-(1-cyclohexylbenzimidazol-2-yl)-1-(3-phenoxypropanoyl)piperidine-4-carboxamide
CID 55882385

Frequently Asked Questions

What is the IUPAC name of N-[3-[(1-cyclohexylbenzimidazol-2-yl)amino]propyl]cyclohexanecarboxamide?
The IUPAC name of N-[3-[(1-cyclohexylbenzimidazol-2-yl)amino]propyl]cyclohexanecarboxamide (CID 46106721) is N-[3-[(1-cyclohexylbenzimidazol-2-yl)amino]propyl]cyclohexanecarboxamide.
What is the SMILES notation for N-[3-[(1-cyclohexylbenzimidazol-2-yl)amino]propyl]cyclohexanecarboxamide?
The canonical SMILES for N-[3-[(1-cyclohexylbenzimidazol-2-yl)amino]propyl]cyclohexanecarboxamide is O=C(NCCCNc1nc2ccccc2n1C1CCCCC1)C1CCCCC1.
What is the InChIKey of N-[3-[(1-cyclohexylbenzimidazol-2-yl)amino]propyl]cyclohexanecarboxamide?
The InChIKey is LNFRMDVKMKZVDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H34N4O/c28-22(18-10-3-1-4-11-18)24-16-9-17-25-23-26-20-14-7-8-15-21(20)27(23)19-12-5-2-6-13-19/h7-8,14-15,18-19H,1-6,9-13,16-17H2,(H,24,28)(H,25,26).
What are the key properties of N-[3-[(1-cyclohexylbenzimidazol-2-yl)amino]propyl]cyclohexanecarboxamide?
N-[3-[(1-cyclohexylbenzimidazol-2-yl)amino]propyl]cyclohexanecarboxamide has a molecular weight of 382.55 g/mol, XLogP of 5.04, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[(1-cyclohexylbenzimidazol-2-yl)amino]propyl]cyclohexanecarboxamide is sourced from PubChem (CID 46106721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).