N-[3-(1H-benzimidazol-2-yl)propyl]-4-(4-hydroxy-2-methyl-6-oxo-1-pyridinyl)butanamide

C20H24N4O3 — CID 127254727

IUPACN-[3-(1H-benzimidazol-2-yl)propyl]-4-(4-hydroxy-2-methyl-6-oxo-1-pyridinyl)butanamide
SMILESCc1cc(O)cc(=O)n1CCCC(=O)NCCCc1nc2ccccc2[nH]1
InChIInChI=1S/C20H24N4O3/c1-14-12-15(25)13-20(27)24(14)11-5-9-19(26)21-10-4-8-18-22-16-6-2-3-7-17(16)23-18/h2-3,6-7,12-13,25H,4-5,8-11H2,1H3,(H,21,26)(H,22,23)
InChIKeyMXINKZQYUCTSPT-UHFFFAOYSA-N
MW368.44 g/mol
LogP2.27
Rot. Bonds8

About N-[3-(1H-benzimidazol-2-yl)propyl]-4-(4-hydroxy-2-methyl-6-oxo-1-pyridinyl)butanamide

N-[3-(1H-benzimidazol-2-yl)propyl]-4-(4-hydroxy-2-methyl-6-oxo-1-pyridinyl)butanamide (PubChem CID 127254727) has the molecular formula C20H24N4O3 and a molecular weight of 368.44 g/mol. Its IUPAC name is N-[3-(1H-benzimidazol-2-yl)propyl]-4-(4-hydroxy-2-methyl-6-oxo-1-pyridinyl)butanamide.

Molecular Properties

Compound NameN-[3-(1H-benzimidazol-2-yl)propyl]-4-(4-hydroxy-2-methyl-6-oxo-1-pyridinyl)butanamide
PubChem CID127254727
Molecular FormulaC20H24N4O3
Molecular Weight368.44 g/mol
Exact Mass368.18
IUPAC NameN-[3-(1H-benzimidazol-2-yl)propyl]-4-(4-hydroxy-2-methyl-6-oxo-1-pyridinyl)butanamide
SMILESCc1cc(O)cc(=O)n1CCCC(=O)NCCCc1nc2ccccc2[nH]1
InChIInChI=1S/C20H24N4O3/c1-14-12-15(25)13-20(27)24(14)11-5-9-19(26)21-10-4-8-18-22-16-6-2-3-7-17(16)23-18/h2-3,6-7,12-13,25H,4-5,8-11H2,1H3,(H,21,26)(H,22,23)
InChIKeyMXINKZQYUCTSPT-UHFFFAOYSA-N
XLogP2.27
TPSA100.01 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.44
LogP ≤ 52.27
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-[3-(1H-benzimidazol-2-yl)propyl]-3-(2,5-dioxopyrrolidin-1-yl)propanamide
CID 29303573
4-amino-N-[3-(1H-benzimidazol-2-yl)propyl]pentanamide
CID 120564390
N-[3-(1H-benzimidazol-2-yl)propyl]-3-[3-(4-methylphenyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]propanamide
CID 42150657
1-[2-(6-fluoro-1H-benzimidazol-2-yl)ethyl]-4-hydroxy-6-methylpyridin-2-one
CID 134716801
N-[3-(1H-benzimidazol-2-yl)propyl]-2-methylpropanamide
CID 2140210
N-[3-(1H-benzimidazol-2-yl)propyl]-5-methyl-2H-triazole-4-carboxamide
CID 122564722
N-[3-(1H-benzimidazol-2-yl)propyl]-3-(3,4,5-trimethoxyphenyl)propanamide
CID 30358132
N-[3-(1H-benzimidazol-2-yl)propyl]-2-(4-methyl-1-oxophthalazin-2-yl)acetamide
CID 29445090
1-[4-[(2R)-2-(1H-benzimidazol-2-yl)piperidin-1-yl]-4-oxobutyl]-4-hydroxy-6-methylpyridin-2-one
CID 124875916
N-[3-(1H-benzimidazol-2-yl)propyl]-3-(furan-2-yl)propanamide
CID 29303584
1-amino-N-[3-(1H-benzimidazol-2-yl)propyl]cyclopropane-1-carboxamide;dihydrochloride
CID 119838245
N-[3-(1H-benzimidazol-2-yl)propyl]-4-methylbenzamide
CID 134032779

Frequently Asked Questions

What is the IUPAC name of N-[3-(1H-benzimidazol-2-yl)propyl]-4-(4-hydroxy-2-methyl-6-oxo-1-pyridinyl)butanamide?
The IUPAC name of N-[3-(1H-benzimidazol-2-yl)propyl]-4-(4-hydroxy-2-methyl-6-oxo-1-pyridinyl)butanamide (CID 127254727) is N-[3-(1H-benzimidazol-2-yl)propyl]-4-(4-hydroxy-2-methyl-6-oxo-1-pyridinyl)butanamide.
What is the SMILES notation for N-[3-(1H-benzimidazol-2-yl)propyl]-4-(4-hydroxy-2-methyl-6-oxo-1-pyridinyl)butanamide?
The canonical SMILES for N-[3-(1H-benzimidazol-2-yl)propyl]-4-(4-hydroxy-2-methyl-6-oxo-1-pyridinyl)butanamide is Cc1cc(O)cc(=O)n1CCCC(=O)NCCCc1nc2ccccc2[nH]1.
What is the InChIKey of N-[3-(1H-benzimidazol-2-yl)propyl]-4-(4-hydroxy-2-methyl-6-oxo-1-pyridinyl)butanamide?
The InChIKey is MXINKZQYUCTSPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N4O3/c1-14-12-15(25)13-20(27)24(14)11-5-9-19(26)21-10-4-8-18-22-16-6-2-3-7-17(16)23-18/h2-3,6-7,12-13,25H,4-5,8-11H2,1H3,(H,21,26)(H,22,23).
What are the key properties of N-[3-(1H-benzimidazol-2-yl)propyl]-4-(4-hydroxy-2-methyl-6-oxo-1-pyridinyl)butanamide?
N-[3-(1H-benzimidazol-2-yl)propyl]-4-(4-hydroxy-2-methyl-6-oxo-1-pyridinyl)butanamide has a molecular weight of 368.44 g/mol, XLogP of 2.27, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(1H-benzimidazol-2-yl)propyl]-4-(4-hydroxy-2-methyl-6-oxo-1-pyridinyl)butanamide is sourced from PubChem (CID 127254727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).