N-[1-(1H-benzimidazol-2-yl)-2-methylpropyl]-2-(1-hydroxycyclohexyl)acetamide

C19H27N3O2 — CID 111331862

IUPACN-[1-(1H-benzimidazol-2-yl)-2-methylpropyl]-2-(1-hydroxycyclohexyl)acetamide
SMILESCC(C)C(NC(=O)CC1(O)CCCCC1)c1nc2ccccc2[nH]1
InChIInChI=1S/C19H27N3O2/c1-13(2)17(18-20-14-8-4-5-9-15(14)21-18)22-16(23)12-19(24)10-6-3-7-11-19/h4-5,8-9,13,17,24H,3,6-7,10-12H2,1-2H3,(H,20,21)(H,22,23)
InChIKeyYPIOVDPEKWCYLQ-UHFFFAOYSA-N
MW329.44 g/mol
LogP3.46
Rot. Bonds5

About N-[1-(1H-benzimidazol-2-yl)-2-methylpropyl]-2-(1-hydroxycyclohexyl)acetamide

N-[1-(1H-benzimidazol-2-yl)-2-methylpropyl]-2-(1-hydroxycyclohexyl)acetamide (PubChem CID 111331862) has the molecular formula C19H27N3O2 and a molecular weight of 329.44 g/mol. Its IUPAC name is N-[1-(1H-benzimidazol-2-yl)-2-methylpropyl]-2-(1-hydroxycyclohexyl)acetamide.

Molecular Properties

Compound NameN-[1-(1H-benzimidazol-2-yl)-2-methylpropyl]-2-(1-hydroxycyclohexyl)acetamide
PubChem CID111331862
Molecular FormulaC19H27N3O2
Molecular Weight329.44 g/mol
Exact Mass329.21
IUPAC NameN-[1-(1H-benzimidazol-2-yl)-2-methylpropyl]-2-(1-hydroxycyclohexyl)acetamide
SMILESCC(C)C(NC(=O)CC1(O)CCCCC1)c1nc2ccccc2[nH]1
InChIInChI=1S/C19H27N3O2/c1-13(2)17(18-20-14-8-4-5-9-15(14)21-18)22-16(23)12-19(24)10-6-3-7-11-19/h4-5,8-9,13,17,24H,3,6-7,10-12H2,1-2H3,(H,20,21)(H,22,23)
InChIKeyYPIOVDPEKWCYLQ-UHFFFAOYSA-N
XLogP3.46
TPSA78.01 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.44
LogP ≤ 53.46
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-N-[1-(1H-benzimidazol-2-yl)-2-methylpropyl]acetamide
CID 119854033
N-[1-(1H-benzimidazol-2-yl)-2-methylpropyl]butanamide
CID 47100277
3-amino-N-[1-(1H-benzimidazol-2-yl)-2-methylpropyl]propanamide;dihydrochloride
CID 119854046
N-[(1S)-1-(1H-benzimidazol-2-yl)-2-methylpropyl]-1-(tetrazol-1-yl)cyclohexane-1-carboxamide
CID 75490655
N-[1-(1H-benzimidazol-2-yl)-2-methylpropyl]-2-(4-methylphenyl)acetamide
CID 51205905
N-[1-(1H-benzimidazol-2-yl)-2-methylpropyl]-2-(4-methoxyphenyl)acetamide
CID 51158115
N-[1-(1H-benzimidazol-2-yl)-2-methylpropyl]-2-methylbutanamide
CID 47141201
N-[(1S)-1-(1H-benzimidazol-2-yl)-2-methylpropyl]-2-(2-oxo-1-pyridinyl)acetamide
CID 9120351
N-[1-(1H-benzimidazol-2-yl)-2-methylpropyl]-2-(4-methoxyphenoxy)acetamide
CID 51158137
N-[(1S)-1-(1H-benzimidazol-2-yl)-2-methylpropyl]-2-(2-methoxyphenyl)acetamide
CID 8928025
2-[1-(1H-benzimidazol-2-yl)ethylsulfanyl]-N-[(1-hydroxycyclobutyl)methyl]acetamide
CID 111560551
N-[1-(1H-benzimidazol-2-yl)-2-methylpropyl]-3-(1,3-dioxo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl)propanamide
CID 51158145

Frequently Asked Questions

What is the IUPAC name of N-[1-(1H-benzimidazol-2-yl)-2-methylpropyl]-2-(1-hydroxycyclohexyl)acetamide?
The IUPAC name of N-[1-(1H-benzimidazol-2-yl)-2-methylpropyl]-2-(1-hydroxycyclohexyl)acetamide (CID 111331862) is N-[1-(1H-benzimidazol-2-yl)-2-methylpropyl]-2-(1-hydroxycyclohexyl)acetamide.
What is the SMILES notation for N-[1-(1H-benzimidazol-2-yl)-2-methylpropyl]-2-(1-hydroxycyclohexyl)acetamide?
The canonical SMILES for N-[1-(1H-benzimidazol-2-yl)-2-methylpropyl]-2-(1-hydroxycyclohexyl)acetamide is CC(C)C(NC(=O)CC1(O)CCCCC1)c1nc2ccccc2[nH]1.
What is the InChIKey of N-[1-(1H-benzimidazol-2-yl)-2-methylpropyl]-2-(1-hydroxycyclohexyl)acetamide?
The InChIKey is YPIOVDPEKWCYLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27N3O2/c1-13(2)17(18-20-14-8-4-5-9-15(14)21-18)22-16(23)12-19(24)10-6-3-7-11-19/h4-5,8-9,13,17,24H,3,6-7,10-12H2,1-2H3,(H,20,21)(H,22,23).
What are the key properties of N-[1-(1H-benzimidazol-2-yl)-2-methylpropyl]-2-(1-hydroxycyclohexyl)acetamide?
N-[1-(1H-benzimidazol-2-yl)-2-methylpropyl]-2-(1-hydroxycyclohexyl)acetamide has a molecular weight of 329.44 g/mol, XLogP of 3.46, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(1H-benzimidazol-2-yl)-2-methylpropyl]-2-(1-hydroxycyclohexyl)acetamide is sourced from PubChem (CID 111331862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).