N-(2-methyl-3H-benzimidazol-5-yl)-6-pyrrol-1-ylhexanamide

C18H22N4O — CID 127255298

IUPACN-(2-methyl-3H-benzimidazol-5-yl)-6-pyrrol-1-ylhexanamide
SMILESCc1nc2ccc(NC(=O)CCCCCn3cccc3)cc2[nH]1
InChIInChI=1S/C18H22N4O/c1-14-19-16-9-8-15(13-17(16)20-14)21-18(23)7-3-2-4-10-22-11-5-6-12-22/h5-6,8-9,11-13H,2-4,7,10H2,1H3,(H,19,20)(H,21,23)
InChIKeyHRVULHUNRSXLBX-UHFFFAOYSA-N
MW310.40 g/mol
LogP3.87
Rot. Bonds7

About N-(2-methyl-3H-benzimidazol-5-yl)-6-pyrrol-1-ylhexanamide

N-(2-methyl-3H-benzimidazol-5-yl)-6-pyrrol-1-ylhexanamide (PubChem CID 127255298) has the molecular formula C18H22N4O and a molecular weight of 310.40 g/mol. Its IUPAC name is N-(2-methyl-3H-benzimidazol-5-yl)-6-pyrrol-1-ylhexanamide.

Molecular Properties

Compound NameN-(2-methyl-3H-benzimidazol-5-yl)-6-pyrrol-1-ylhexanamide
PubChem CID127255298
Molecular FormulaC18H22N4O
Molecular Weight310.40 g/mol
Exact Mass310.18
IUPAC NameN-(2-methyl-3H-benzimidazol-5-yl)-6-pyrrol-1-ylhexanamide
SMILESCc1nc2ccc(NC(=O)CCCCCn3cccc3)cc2[nH]1
InChIInChI=1S/C18H22N4O/c1-14-19-16-9-8-15(13-17(16)20-14)21-18(23)7-3-2-4-10-22-11-5-6-12-22/h5-6,8-9,11-13H,2-4,7,10H2,1H3,(H,19,20)(H,21,23)
InChIKeyHRVULHUNRSXLBX-UHFFFAOYSA-N
XLogP3.87
TPSA62.71 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.40
LogP ≤ 53.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-(2-methyl-3H-benzimidazol-5-yl)-6-pyrrol-1-ylhexanamide 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-(hydroxymethyl)-3H-benzimidazol-5-yl]-6-pyrrol-1-ylhexanamide
CID 127254570
4-hydroxy-N-(2-methyl-3H-benzimidazol-5-yl)butanamide
CID 79204355
3-chloro-N-(2-methyl-3H-benzimidazol-5-yl)propanamide
CID 43700582
N-(4-methyl-2-oxo-1H-quinolin-7-yl)-6-pyrrol-1-ylhexanamide
CID 127254662
4-(1H-indol-3-yl)-N-(2-methyl-3H-benzimidazol-5-yl)butanamide
CID 51044500
N-(2-methyl-3H-benzimidazol-5-yl)-3-oxobutanamide
CID 61250337
2-anilino-N-(2-methyl-3H-benzimidazol-5-yl)acetamide
CID 60860935
6-[(6aS)-5,11-dioxo-6aH-isoindolo[2,1-a]quinazolin-6-yl]-N-(2-methyl-3H-benzimidazol-5-yl)hexanamide
CID 99994297
3-(2,5-dimethylpyrrol-1-yl)-N-[2-(hydroxymethyl)-3H-benzimidazol-5-yl]propanamide
CID 110204597
2-(butan-2-ylamino)-N-(2-methyl-3H-benzimidazol-5-yl)acetamide
CID 60853212
N-(2-methyl-3H-benzimidazol-5-yl)-2-(1-phenyltetrazol-5-yl)sulfanylacetamide
CID 6499887
N-(2-methyl-3H-benzimidazol-5-yl)-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]acetamide
CID 6472025

Frequently Asked Questions

What is the IUPAC name of N-(2-methyl-3H-benzimidazol-5-yl)-6-pyrrol-1-ylhexanamide?
The IUPAC name of N-(2-methyl-3H-benzimidazol-5-yl)-6-pyrrol-1-ylhexanamide (CID 127255298) is N-(2-methyl-3H-benzimidazol-5-yl)-6-pyrrol-1-ylhexanamide.
What is the SMILES notation for N-(2-methyl-3H-benzimidazol-5-yl)-6-pyrrol-1-ylhexanamide?
The canonical SMILES for N-(2-methyl-3H-benzimidazol-5-yl)-6-pyrrol-1-ylhexanamide is Cc1nc2ccc(NC(=O)CCCCCn3cccc3)cc2[nH]1.
What is the InChIKey of N-(2-methyl-3H-benzimidazol-5-yl)-6-pyrrol-1-ylhexanamide?
The InChIKey is HRVULHUNRSXLBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N4O/c1-14-19-16-9-8-15(13-17(16)20-14)21-18(23)7-3-2-4-10-22-11-5-6-12-22/h5-6,8-9,11-13H,2-4,7,10H2,1H3,(H,19,20)(H,21,23).
What are the key properties of N-(2-methyl-3H-benzimidazol-5-yl)-6-pyrrol-1-ylhexanamide?
N-(2-methyl-3H-benzimidazol-5-yl)-6-pyrrol-1-ylhexanamide has a molecular weight of 310.40 g/mol, XLogP of 3.87, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methyl-3H-benzimidazol-5-yl)-6-pyrrol-1-ylhexanamide is sourced from PubChem (CID 127255298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).