N-[2-[4-[(cyclohexylamino)-hydroxymethyl]phenyl]-3H-benzimidazol-5-yl]acetamide

C22H26N4O2 — CID 142169213

IUPACN-[2-[4-[(cyclohexylamino)-hydroxymethyl]phenyl]-3H-benzimidazol-5-yl]acetamide
SMILESCC(=O)Nc1ccc2nc(-c3ccc(C(O)NC4CCCCC4)cc3)[nH]c2c1
InChIInChI=1S/C22H26N4O2/c1-14(27)23-18-11-12-19-20(13-18)26-21(25-19)15-7-9-16(10-8-15)22(28)24-17-5-3-2-4-6-17/h7-13,17,22,24,28H,2-6H2,1H3,(H,23,27)(H,25,26)
InChIKeyPXFVWHPRKKAUPH-UHFFFAOYSA-N
MW378.48 g/mol
LogP4.10
Rot. Bonds5

About N-[2-[4-[(cyclohexylamino)-hydroxymethyl]phenyl]-3H-benzimidazol-5-yl]acetamide

N-[2-[4-[(cyclohexylamino)-hydroxymethyl]phenyl]-3H-benzimidazol-5-yl]acetamide (PubChem CID 142169213) has the molecular formula C22H26N4O2 and a molecular weight of 378.48 g/mol. Its IUPAC name is N-[2-[4-[(cyclohexylamino)-hydroxymethyl]phenyl]-3H-benzimidazol-5-yl]acetamide.

Molecular Properties

Compound NameN-[2-[4-[(cyclohexylamino)-hydroxymethyl]phenyl]-3H-benzimidazol-5-yl]acetamide
PubChem CID142169213
Molecular FormulaC22H26N4O2
Molecular Weight378.48 g/mol
Exact Mass378.21
IUPAC NameN-[2-[4-[(cyclohexylamino)-hydroxymethyl]phenyl]-3H-benzimidazol-5-yl]acetamide
SMILESCC(=O)Nc1ccc2nc(-c3ccc(C(O)NC4CCCCC4)cc3)[nH]c2c1
InChIInChI=1S/C22H26N4O2/c1-14(27)23-18-11-12-19-20(13-18)26-21(25-19)15-7-9-16(10-8-15)22(28)24-17-5-3-2-4-6-17/h7-13,17,22,24,28H,2-6H2,1H3,(H,23,27)(H,25,26)
InChIKeyPXFVWHPRKKAUPH-UHFFFAOYSA-N
XLogP4.10
TPSA90.04 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.48
LogP ≤ 54.10
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

Analyze N-[2-[4-[(cyclohexylamino)-hydroxymethyl]phenyl]-3H-benzimidazol-5-yl]acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[2-(3,5-diacetamidophenyl)-3H-benzimidazol-5-yl]acetamide
CID 1136428
N-cyclooctyl-4-[6-(cyclopentanecarbonylamino)-1H-benzimidazol-2-yl]benzamide
CID 142169240
2-cyclohexyl-N-(2-phenyl-3H-benzimidazol-5-yl)acetamide
CID 163397662
2-(4-benzamidophenyl)-N-cyclohexyl-3H-benzimidazole-5-carboxamide
CID 10274855
N-[4-[6-[(2-methyl-4-pyridinyl)amino]-1H-benzimidazol-2-yl]phenyl]acetamide
CID 157043527
N-[4-(6-acetamido-1H-benzimidazol-2-yl)phenyl]-2-phenylcyclopropane-1-carboxamide
CID 10179766
N-[2-[4-(cycloheptylcarbamoyl)phenyl]-3H-benzimidazol-5-yl]bicyclo[2.2.1]heptane-2-carboxamide
CID 10276939
N-cyclooctyl-2-[4-[[4-(methoxyamino)benzoyl]amino]phenyl]-3H-benzimidazole-5-carboxamide
CID 142169238
4-hydroxy-N-[4-[6-[(4-hydroxycyclohexanecarbonyl)amino]-1H-benzimidazol-2-yl]phenyl]cyclohexane-1-carboxamide
CID 10140436
N-[2-[4-(cyclohexanecarbonylamino)phenyl]-3H-benzimidazol-5-yl]-3,4,5-trimethoxybenzamide
CID 20694954
N-[2-[4-(3-bicyclo[4.2.0]octanylcarbamoyl)phenyl]-3H-benzimidazol-5-yl]cycloheptanecarboxamide
CID 71169778
N-[2-[4-(cyclohexanecarbonylamino)phenyl]-3H-benzimidazol-5-yl]bicyclo[2.2.1]heptane-2-carboxamide
CID 10161461

Frequently Asked Questions

What is the IUPAC name of N-[2-[4-[(cyclohexylamino)-hydroxymethyl]phenyl]-3H-benzimidazol-5-yl]acetamide?
The IUPAC name of N-[2-[4-[(cyclohexylamino)-hydroxymethyl]phenyl]-3H-benzimidazol-5-yl]acetamide (CID 142169213) is N-[2-[4-[(cyclohexylamino)-hydroxymethyl]phenyl]-3H-benzimidazol-5-yl]acetamide.
What is the SMILES notation for N-[2-[4-[(cyclohexylamino)-hydroxymethyl]phenyl]-3H-benzimidazol-5-yl]acetamide?
The canonical SMILES for N-[2-[4-[(cyclohexylamino)-hydroxymethyl]phenyl]-3H-benzimidazol-5-yl]acetamide is CC(=O)Nc1ccc2nc(-c3ccc(C(O)NC4CCCCC4)cc3)[nH]c2c1.
What is the InChIKey of N-[2-[4-[(cyclohexylamino)-hydroxymethyl]phenyl]-3H-benzimidazol-5-yl]acetamide?
The InChIKey is PXFVWHPRKKAUPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N4O2/c1-14(27)23-18-11-12-19-20(13-18)26-21(25-19)15-7-9-16(10-8-15)22(28)24-17-5-3-2-4-6-17/h7-13,17,22,24,28H,2-6H2,1H3,(H,23,27)(H,25,26).
What are the key properties of N-[2-[4-[(cyclohexylamino)-hydroxymethyl]phenyl]-3H-benzimidazol-5-yl]acetamide?
N-[2-[4-[(cyclohexylamino)-hydroxymethyl]phenyl]-3H-benzimidazol-5-yl]acetamide has a molecular weight of 378.48 g/mol, XLogP of 4.10, 5 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[4-[(cyclohexylamino)-hydroxymethyl]phenyl]-3H-benzimidazol-5-yl]acetamide is sourced from PubChem (CID 142169213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).