N-cyclohexyl-N-ethyl-3-[2-(4-ethylcyclohexyl)-6-(1H-pyrazol-4-yl)benzimidazol-1-yl]propanamide

C29H41N5O — CID 129276344

IUPACN-cyclohexyl-N-ethyl-3-[2-(4-ethylcyclohexyl)-6-(1H-pyrazol-4-yl)benzimidazol-1-yl]propanamide
SMILESCCC1CCC(c2nc3ccc(-c4cn[nH]c4)cc3n2CCC(=O)N(CC)C2CCCCC2)CC1
InChIInChI=1S/C29H41N5O/c1-3-21-10-12-22(13-11-21)29-32-26-15-14-23(24-19-30-31-20-24)18-27(26)34(29)17-16-28(35)33(4-2)25-8-6-5-7-9-25/h14-15,18-22,25H,3-13,16-17H2,1-2H3,(H,30,31)
InChIKeyANHJAEHVDVYOEH-UHFFFAOYSA-N
MW475.68 g/mol
LogP6.68
Rot. Bonds8

About N-cyclohexyl-N-ethyl-3-[2-(4-ethylcyclohexyl)-6-(1H-pyrazol-4-yl)benzimidazol-1-yl]propanamide

N-cyclohexyl-N-ethyl-3-[2-(4-ethylcyclohexyl)-6-(1H-pyrazol-4-yl)benzimidazol-1-yl]propanamide (PubChem CID 129276344) has the molecular formula C29H41N5O and a molecular weight of 475.68 g/mol. Its IUPAC name is N-cyclohexyl-N-ethyl-3-[2-(4-ethylcyclohexyl)-6-(1H-pyrazol-4-yl)benzimidazol-1-yl]propanamide.

Molecular Properties

Compound NameN-cyclohexyl-N-ethyl-3-[2-(4-ethylcyclohexyl)-6-(1H-pyrazol-4-yl)benzimidazol-1-yl]propanamide
PubChem CID129276344
Molecular FormulaC29H41N5O
Molecular Weight475.68 g/mol
Exact Mass475.33
IUPAC NameN-cyclohexyl-N-ethyl-3-[2-(4-ethylcyclohexyl)-6-(1H-pyrazol-4-yl)benzimidazol-1-yl]propanamide
SMILESCCC1CCC(c2nc3ccc(-c4cn[nH]c4)cc3n2CCC(=O)N(CC)C2CCCCC2)CC1
InChIInChI=1S/C29H41N5O/c1-3-21-10-12-22(13-11-21)29-32-26-15-14-23(24-19-30-31-20-24)18-27(26)34(29)17-16-28(35)33(4-2)25-8-6-5-7-9-25/h14-15,18-22,25H,3-13,16-17H2,1-2H3,(H,30,31)
InChIKeyANHJAEHVDVYOEH-UHFFFAOYSA-N
XLogP6.68
TPSA66.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500475.68
LogP ≤ 56.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

Bms-695735
CID 135441202
Meribendan
CID 65934
1-[4-[(1~{R})-1-[2-[[5-[1-(cyclopropylmethyl)pyrazol-4-yl]-1~{H}-benzimidazol-2-yl]amino]pyridin-4-yl]ethyl]piperazin-1-yl]-3,3,3-tris(fluoranyl)propan-1-one
CID 145714274
3-ethyl-1-[7-(1H-pyrazol-1-yl)-5-(pyridin-3-yl)-1H-1,3-benzodiazol-2-yl]urea
CID 11314018
3-{3-[5-(morpholin-4-ylmethyl)-1H-1,3-benzodiazol-2-yl]-1H-pyrazol-4-yl}-1-phenylurea
CID 135566360
4-{[2-(4-chloro-1H-pyrazol-1-yl)ethyl]amino}-3-[4-methyl-6-(1-methylpiperidin-4-yl)-1H-1,3-benzodiazol-2-yl]-1,2-dihydropyridin-2-one
CID 135875713
1-cyclohexyl-3-{3-[5-(morpholin-4-ylmethyl)-1H-1,3-benzodiazol-2-yl]-1H-pyrazol-4-yl}urea
CID 135909513
N-[2-(7-methyl-1H-indazol-5-yl)-1-[1-(2-phenylethyl)imidazol-2-yl]ethyl]-4-(2-oxo-1,4-dihydroquinazolin-3-yl)piperidine-1-carboxamide
CID 11456201
N-[1-(1-benzylimidazol-2-yl)-2-(7-methyl-1H-indazol-5-yl)ethyl]-4-(2-oxo-1,4-dihydroquinazolin-3-yl)piperidine-1-carboxamide
CID 57794685
N-[4-(1H-benzimidazol-2-yl)phenyl]-1-[(1-ethyl-3-methylpyrazol-4-yl)methyl]piperidine-3-carboxamide
CID 24818949
N-[4-(1H-benzimidazol-2-yl)phenyl]-1-[(5-methyl-1H-pyrazol-3-yl)methyl]-3-piperidinecarboxamide
CID 24816621
N-[(1S)-1-[5-(3-amino-1H-indazol-6-yl)-1H-imidazol-2-yl]-2-phenylethyl]-4-(aminomethyl)cyclohexane-1-carboxamide
CID 11561600

Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-N-ethyl-3-[2-(4-ethylcyclohexyl)-6-(1H-pyrazol-4-yl)benzimidazol-1-yl]propanamide?
The IUPAC name of N-cyclohexyl-N-ethyl-3-[2-(4-ethylcyclohexyl)-6-(1H-pyrazol-4-yl)benzimidazol-1-yl]propanamide (CID 129276344) is N-cyclohexyl-N-ethyl-3-[2-(4-ethylcyclohexyl)-6-(1H-pyrazol-4-yl)benzimidazol-1-yl]propanamide.
What is the SMILES notation for N-cyclohexyl-N-ethyl-3-[2-(4-ethylcyclohexyl)-6-(1H-pyrazol-4-yl)benzimidazol-1-yl]propanamide?
The canonical SMILES for N-cyclohexyl-N-ethyl-3-[2-(4-ethylcyclohexyl)-6-(1H-pyrazol-4-yl)benzimidazol-1-yl]propanamide is CCC1CCC(c2nc3ccc(-c4cn[nH]c4)cc3n2CCC(=O)N(CC)C2CCCCC2)CC1.
What is the InChIKey of N-cyclohexyl-N-ethyl-3-[2-(4-ethylcyclohexyl)-6-(1H-pyrazol-4-yl)benzimidazol-1-yl]propanamide?
The InChIKey is ANHJAEHVDVYOEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H41N5O/c1-3-21-10-12-22(13-11-21)29-32-26-15-14-23(24-19-30-31-20-24)18-27(26)34(29)17-16-28(35)33(4-2)25-8-6-5-7-9-25/h14-15,18-22,25H,3-13,16-17H2,1-2H3,(H,30,31).
What are the key properties of N-cyclohexyl-N-ethyl-3-[2-(4-ethylcyclohexyl)-6-(1H-pyrazol-4-yl)benzimidazol-1-yl]propanamide?
N-cyclohexyl-N-ethyl-3-[2-(4-ethylcyclohexyl)-6-(1H-pyrazol-4-yl)benzimidazol-1-yl]propanamide has a molecular weight of 475.68 g/mol, XLogP of 6.68, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-N-ethyl-3-[2-(4-ethylcyclohexyl)-6-(1H-pyrazol-4-yl)benzimidazol-1-yl]propanamide is sourced from PubChem (CID 129276344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).