N-[3-[1-[(1R)-1-phenylethyl]benzimidazol-2-yl]propyl]cyclohexanecarboxamide

C25H31N3O — CID 40639636

IUPACN-[3-[1-[(1R)-1-phenylethyl]benzimidazol-2-yl]propyl]cyclohexanecarboxamide
SMILESC[C@H](c1ccccc1)n1c(CCCNC(=O)C2CCCCC2)nc2ccccc21
InChIInChI=1S/C25H31N3O/c1-19(20-11-4-2-5-12-20)28-23-16-9-8-15-22(23)27-24(28)17-10-18-26-25(29)21-13-6-3-7-14-21/h2,4-5,8-9,11-12,15-16,19,21H,3,6-7,10,13-14,17-18H2,1H3,(H,26,29)/t19-/m1/s1
InChIKeyWWADUQAMJRTQMV-LJQANCHMSA-N
MW389.54 g/mol
LogP5.27
Rot. Bonds7

About N-[3-[1-[(1R)-1-phenylethyl]benzimidazol-2-yl]propyl]cyclohexanecarboxamide

N-[3-[1-[(1R)-1-phenylethyl]benzimidazol-2-yl]propyl]cyclohexanecarboxamide (PubChem CID 40639636) has the molecular formula C25H31N3O and a molecular weight of 389.54 g/mol. Its IUPAC name is N-[3-[1-[(1R)-1-phenylethyl]benzimidazol-2-yl]propyl]cyclohexanecarboxamide.

Molecular Properties

Compound NameN-[3-[1-[(1R)-1-phenylethyl]benzimidazol-2-yl]propyl]cyclohexanecarboxamide
PubChem CID40639636
Molecular FormulaC25H31N3O
Molecular Weight389.54 g/mol
Exact Mass389.25
IUPAC NameN-[3-[1-[(1R)-1-phenylethyl]benzimidazol-2-yl]propyl]cyclohexanecarboxamide
SMILESC[C@H](c1ccccc1)n1c(CCCNC(=O)C2CCCCC2)nc2ccccc21
InChIInChI=1S/C25H31N3O/c1-19(20-11-4-2-5-12-20)28-23-16-9-8-15-22(23)27-24(28)17-10-18-26-25(29)21-13-6-3-7-14-21/h2,4-5,8-9,11-12,15-16,19,21H,3,6-7,10,13-14,17-18H2,1H3,(H,26,29)/t19-/m1/s1
InChIKeyWWADUQAMJRTQMV-LJQANCHMSA-N
XLogP5.27
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500389.54
LogP ≤ 55.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[5-[1-(1-phenylethyl)benzimidazol-2-yl]pentyl]cyclopropanecarboxamide
CID 16989127
2-methyl-N-[3-[1-(1-phenylethyl)benzimidazol-2-yl]propyl]prop-2-enamide
CID 16986880
propan-2-yl 2-[2-[3-(cyclohexanecarbonylamino)propyl]benzimidazol-1-yl]acetate
CID 16981598
N-[3-(1-hexylbenzimidazol-2-yl)propyl]cyclohexanecarboxamide
CID 18888908
4-chloro-N-[3-[1-(1-phenylethyl)benzimidazol-2-yl]propyl]benzamide
CID 16984574
N-[5-[1-(3-methylbutyl)benzimidazol-2-yl]pentyl]cyclohexanecarboxamide
CID 16988953
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-[benzyl(propan-2-yl)amino]-2-oxoethyl]benzimidazol-2-yl]propyl]cyclohexanecarboxamide
CID 16981601
N-[3-[1-(1-phenylethyl)benzimidazol-2-yl]propyl]thiophene-2-carboxamide
CID 16982056
N-[3-[1-(2-oxo-2-piperidin-1-ylethyl)benzimidazol-2-yl]propyl]cyclohexanecarboxamide
CID 16981590
2-(4-chlorophenoxy)-N-[3-[1-(1-phenylethyl)benzimidazol-2-yl]propyl]acetamide
CID 16986394

Frequently Asked Questions

What is the IUPAC name of N-[3-[1-[(1R)-1-phenylethyl]benzimidazol-2-yl]propyl]cyclohexanecarboxamide?
The IUPAC name of N-[3-[1-[(1R)-1-phenylethyl]benzimidazol-2-yl]propyl]cyclohexanecarboxamide (CID 40639636) is N-[3-[1-[(1R)-1-phenylethyl]benzimidazol-2-yl]propyl]cyclohexanecarboxamide.
What is the SMILES notation for N-[3-[1-[(1R)-1-phenylethyl]benzimidazol-2-yl]propyl]cyclohexanecarboxamide?
The canonical SMILES for N-[3-[1-[(1R)-1-phenylethyl]benzimidazol-2-yl]propyl]cyclohexanecarboxamide is C[C@H](c1ccccc1)n1c(CCCNC(=O)C2CCCCC2)nc2ccccc21.
What is the InChIKey of N-[3-[1-[(1R)-1-phenylethyl]benzimidazol-2-yl]propyl]cyclohexanecarboxamide?
The InChIKey is WWADUQAMJRTQMV-LJQANCHMSA-N. The full InChI is InChI=1S/C25H31N3O/c1-19(20-11-4-2-5-12-20)28-23-16-9-8-15-22(23)27-24(28)17-10-18-26-25(29)21-13-6-3-7-14-21/h2,4-5,8-9,11-12,15-16,19,21H,3,6-7,10,13-14,17-18H2,1H3,(H,26,29)/t19-/m1/s1.
What are the key properties of N-[3-[1-[(1R)-1-phenylethyl]benzimidazol-2-yl]propyl]cyclohexanecarboxamide?
N-[3-[1-[(1R)-1-phenylethyl]benzimidazol-2-yl]propyl]cyclohexanecarboxamide has a molecular weight of 389.54 g/mol, XLogP of 5.27, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[1-[(1R)-1-phenylethyl]benzimidazol-2-yl]propyl]cyclohexanecarboxamide is sourced from PubChem (CID 40639636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).