N-[4-[6-(methylamino)-1H-benzimidazol-2-yl]phenyl]hexanamide

C20H24N4O — CID 142813057

IUPACN-[4-[6-(methylamino)-1H-benzimidazol-2-yl]phenyl]hexanamide
SMILESCCCCCC(=O)Nc1ccc(-c2nc3ccc(NC)cc3[nH]2)cc1
InChIInChI=1S/C20H24N4O/c1-3-4-5-6-19(25)22-15-9-7-14(8-10-15)20-23-17-12-11-16(21-2)13-18(17)24-20/h7-13,21H,3-6H2,1-2H3,(H,22,25)(H,23,24)
InChIKeyKASYOOARQDJMKB-UHFFFAOYSA-N
MW336.44 g/mol
LogP4.79
Rot. Bonds7

About N-[4-[6-(methylamino)-1H-benzimidazol-2-yl]phenyl]hexanamide

N-[4-[6-(methylamino)-1H-benzimidazol-2-yl]phenyl]hexanamide (PubChem CID 142813057) has the molecular formula C20H24N4O and a molecular weight of 336.44 g/mol. Its IUPAC name is N-[4-[6-(methylamino)-1H-benzimidazol-2-yl]phenyl]hexanamide.

Molecular Properties

Compound NameN-[4-[6-(methylamino)-1H-benzimidazol-2-yl]phenyl]hexanamide
PubChem CID142813057
Molecular FormulaC20H24N4O
Molecular Weight336.44 g/mol
Exact Mass336.20
IUPAC NameN-[4-[6-(methylamino)-1H-benzimidazol-2-yl]phenyl]hexanamide
SMILESCCCCCC(=O)Nc1ccc(-c2nc3ccc(NC)cc3[nH]2)cc1
InChIInChI=1S/C20H24N4O/c1-3-4-5-6-19(25)22-15-9-7-14(8-10-15)20-23-17-12-11-16(21-2)13-18(17)24-20/h7-13,21H,3-6H2,1-2H3,(H,22,25)(H,23,24)
InChIKeyKASYOOARQDJMKB-UHFFFAOYSA-N
XLogP4.79
TPSA69.81 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.44
LogP ≤ 54.79
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[4-(1H-benzimidazol-2-yl)phenyl]octadecanamide
CID 101392453
N-[2-[4-(hexanoylamino)phenyl]-3H-benzimidazol-5-yl]-2-methylcyclopentane-1-carboxamide
CID 142813027
4-methoxy-N-[4-[6-(pentanoylamino)-1H-benzimidazol-2-yl]phenyl]benzamide
CID 20694879
3-chloro-N-[4-[6-[2-[4-(3-chloropropanoylamino)phenyl]-3H-benzimidazol-5-yl]-1H-benzimidazol-2-yl]phenyl]propanamide
CID 11628600
N-[4-(6-methyl-1H-benzimidazol-2-yl)phenyl]-4-oxopentanamide
CID 90145481
benzene;N-[2-[4-(butanoylamino)phenyl]-3H-benzimidazol-5-yl]-2,3-diethylpentanamide
CID 142813043
N-[4-(icosanoylamino)phenyl]icosanamide
CID 101291044
methyl 5-[4-(1H-benzimidazol-2-yl)anilino]-5-oxopentanoate
CID 118717470
N-[4-(6-methyl-1H-benzimidazol-2-yl)phenyl]-3-phenylpropanamide
CID 17297236
2-phenyl-N-[2-[4-[6-[(2-phenylacetyl)amino]-1H-benzimidazol-2-yl]phenyl]-3H-benzimidazol-5-yl]acetamide
CID 3106744
N-[4-[2-[4-(dodecanoylamino)phenyl]ethynyl]phenyl]dodecanamide
CID 102416980
N-[4-(methylamino)phenyl]pentanamide
CID 71040406

Frequently Asked Questions

What is the IUPAC name of N-[4-[6-(methylamino)-1H-benzimidazol-2-yl]phenyl]hexanamide?
The IUPAC name of N-[4-[6-(methylamino)-1H-benzimidazol-2-yl]phenyl]hexanamide (CID 142813057) is N-[4-[6-(methylamino)-1H-benzimidazol-2-yl]phenyl]hexanamide.
What is the SMILES notation for N-[4-[6-(methylamino)-1H-benzimidazol-2-yl]phenyl]hexanamide?
The canonical SMILES for N-[4-[6-(methylamino)-1H-benzimidazol-2-yl]phenyl]hexanamide is CCCCCC(=O)Nc1ccc(-c2nc3ccc(NC)cc3[nH]2)cc1.
What is the InChIKey of N-[4-[6-(methylamino)-1H-benzimidazol-2-yl]phenyl]hexanamide?
The InChIKey is KASYOOARQDJMKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N4O/c1-3-4-5-6-19(25)22-15-9-7-14(8-10-15)20-23-17-12-11-16(21-2)13-18(17)24-20/h7-13,21H,3-6H2,1-2H3,(H,22,25)(H,23,24).
What are the key properties of N-[4-[6-(methylamino)-1H-benzimidazol-2-yl]phenyl]hexanamide?
N-[4-[6-(methylamino)-1H-benzimidazol-2-yl]phenyl]hexanamide has a molecular weight of 336.44 g/mol, XLogP of 4.79, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[6-(methylamino)-1H-benzimidazol-2-yl]phenyl]hexanamide is sourced from PubChem (CID 142813057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).