N-[4-(1H-benzimidazol-2-yl)cyclohexyl]-2-(1H-indol-2-ylmethylamino)acetamide

C24H27N5O — CID 162396665

IUPACN-[4-(1H-benzimidazol-2-yl)cyclohexyl]-2-(1H-indol-2-ylmethylamino)acetamide
SMILESO=C(CNCc1cc2ccccc2[nH]1)NC1CCC(c2nc3ccccc3[nH]2)CC1
InChIInChI=1S/C24H27N5O/c30-23(15-25-14-19-13-17-5-1-2-6-20(17)26-19)27-18-11-9-16(10-12-18)24-28-21-7-3-4-8-22(21)29-24/h1-8,13,16,18,25-26H,9-12,14-15H2,(H,27,30)(H,28,29)
InChIKeyHLHNFJNSQZZUNW-UHFFFAOYSA-N
MW401.51 g/mol
LogP3.98
Rot. Bonds6

About N-[4-(1H-benzimidazol-2-yl)cyclohexyl]-2-(1H-indol-2-ylmethylamino)acetamide

N-[4-(1H-benzimidazol-2-yl)cyclohexyl]-2-(1H-indol-2-ylmethylamino)acetamide (PubChem CID 162396665) has the molecular formula C24H27N5O and a molecular weight of 401.51 g/mol. Its IUPAC name is N-[4-(1H-benzimidazol-2-yl)cyclohexyl]-2-(1H-indol-2-ylmethylamino)acetamide.

Molecular Properties

Compound NameN-[4-(1H-benzimidazol-2-yl)cyclohexyl]-2-(1H-indol-2-ylmethylamino)acetamide
PubChem CID162396665
Molecular FormulaC24H27N5O
Molecular Weight401.51 g/mol
Exact Mass401.22
IUPAC NameN-[4-(1H-benzimidazol-2-yl)cyclohexyl]-2-(1H-indol-2-ylmethylamino)acetamide
SMILESO=C(CNCc1cc2ccccc2[nH]1)NC1CCC(c2nc3ccccc3[nH]2)CC1
InChIInChI=1S/C24H27N5O/c30-23(15-25-14-19-13-17-5-1-2-6-20(17)26-19)27-18-11-9-16(10-12-18)24-28-21-7-3-4-8-22(21)29-24/h1-8,13,16,18,25-26H,9-12,14-15H2,(H,27,30)(H,28,29)
InChIKeyHLHNFJNSQZZUNW-UHFFFAOYSA-N
XLogP3.98
TPSA85.60 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.51
LogP ≤ 53.98
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-N-[1-(1H-1,3-benzodiazol-2-yl)-5-carbamimidamido-1-oxopentan-2-yl]-1-[(2R)-2-(methylamino)-3-phenylpropanoyl]pyrrolidine-2-carboxamide
CID 23646599
8-(1~{H}-benzimidazol-2-ylmethyl)-3-cyclopropyl-7-(phenylmethyl)purine-2,6-dione
CID 122506014
deamino-hPhe-His-D-Phe-Arg-Trp-NH2
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1-[(1H-benzimidazol-2-ylthio)acetyl]-N-(1,1'-biphenyl-2-yl)-L-prolinamide
CID 44454577
2-Pyrrolidinecarboxamide,N-[1,1'-biphenyl]-2-yl-1-[3-(1-methyl-1H-benzimidazol-2-yl)-1-oxopropyl]-,(2S)-
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endo-N-((S)-3-(3-(2-methyl-1H-benzo[d]imidazol-1-yl)-8-azabicyclo[3.2.1]octan-8-yl)-1-phenylpropyl)acetamide
CID 53325983
3-(1H-benzo[d]imidazol-2-yl)-4-(piperidin-4-ylmethylamino)quinolin-2(1H)-one
CID 135674129
N-[3-(1H-benzimidazol-2-yl)phenyl]-3-methylbutanamide
CID 4233329
4-(1H-benzimidazol-2-yl)-1-phenylpyrrolidin-2-one
CID 2919881
N-[4-(1H-1,3-benzodiazol-1-yl)phenyl]-2-[(5-carbamimidoyl-1H-indol-3-yl)methyl]-3-phenylpropanamide
CID 23646224
N-[4-(1H-1,3-benzodiazol-1-yl)phenyl]-3-(5-carbamimidoyl-1H-indol-3-yl)-4-phenylbutanamide
CID 23646225
N-{[4-(1H-1,3-benzodiazol-1-yl)phenyl]methyl}-2-(5-carbamimidoyl-1H-indol-3-yl)-3-phenylpropanamide
CID 23646226

Frequently Asked Questions

What is the IUPAC name of N-[4-(1H-benzimidazol-2-yl)cyclohexyl]-2-(1H-indol-2-ylmethylamino)acetamide?
The IUPAC name of N-[4-(1H-benzimidazol-2-yl)cyclohexyl]-2-(1H-indol-2-ylmethylamino)acetamide (CID 162396665) is N-[4-(1H-benzimidazol-2-yl)cyclohexyl]-2-(1H-indol-2-ylmethylamino)acetamide.
What is the SMILES notation for N-[4-(1H-benzimidazol-2-yl)cyclohexyl]-2-(1H-indol-2-ylmethylamino)acetamide?
The canonical SMILES for N-[4-(1H-benzimidazol-2-yl)cyclohexyl]-2-(1H-indol-2-ylmethylamino)acetamide is O=C(CNCc1cc2ccccc2[nH]1)NC1CCC(c2nc3ccccc3[nH]2)CC1.
What is the InChIKey of N-[4-(1H-benzimidazol-2-yl)cyclohexyl]-2-(1H-indol-2-ylmethylamino)acetamide?
The InChIKey is HLHNFJNSQZZUNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27N5O/c30-23(15-25-14-19-13-17-5-1-2-6-20(17)26-19)27-18-11-9-16(10-12-18)24-28-21-7-3-4-8-22(21)29-24/h1-8,13,16,18,25-26H,9-12,14-15H2,(H,27,30)(H,28,29).
What are the key properties of N-[4-(1H-benzimidazol-2-yl)cyclohexyl]-2-(1H-indol-2-ylmethylamino)acetamide?
N-[4-(1H-benzimidazol-2-yl)cyclohexyl]-2-(1H-indol-2-ylmethylamino)acetamide has a molecular weight of 401.51 g/mol, XLogP of 3.98, 6 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(1H-benzimidazol-2-yl)cyclohexyl]-2-(1H-indol-2-ylmethylamino)acetamide is sourced from PubChem (CID 162396665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).