N-[1-(1H-benzimidazol-2-yl)-3-methylbutyl]-4-(methylamino)butanamide

C17H26N4O — CID 119836758

IUPACN-[1-(1H-benzimidazol-2-yl)-3-methylbutyl]-4-(methylamino)butanamide
SMILESCNCCCC(=O)NC(CC(C)C)c1nc2ccccc2[nH]1
InChIInChI=1S/C17H26N4O/c1-12(2)11-15(19-16(22)9-6-10-18-3)17-20-13-7-4-5-8-14(13)21-17/h4-5,7-8,12,15,18H,6,9-11H2,1-3H3,(H,19,22)(H,20,21)
InChIKeyGCHCPEPTYJYPCN-UHFFFAOYSA-N
MW302.42 g/mol
LogP2.77
Rot. Bonds8

About N-[1-(1H-benzimidazol-2-yl)-3-methylbutyl]-4-(methylamino)butanamide

N-[1-(1H-benzimidazol-2-yl)-3-methylbutyl]-4-(methylamino)butanamide (PubChem CID 119836758) has the molecular formula C17H26N4O and a molecular weight of 302.42 g/mol. Its IUPAC name is N-[1-(1H-benzimidazol-2-yl)-3-methylbutyl]-4-(methylamino)butanamide.

Molecular Properties

Compound NameN-[1-(1H-benzimidazol-2-yl)-3-methylbutyl]-4-(methylamino)butanamide
PubChem CID119836758
Molecular FormulaC17H26N4O
Molecular Weight302.42 g/mol
Exact Mass302.21
IUPAC NameN-[1-(1H-benzimidazol-2-yl)-3-methylbutyl]-4-(methylamino)butanamide
SMILESCNCCCC(=O)NC(CC(C)C)c1nc2ccccc2[nH]1
InChIInChI=1S/C17H26N4O/c1-12(2)11-15(19-16(22)9-6-10-18-3)17-20-13-7-4-5-8-14(13)21-17/h4-5,7-8,12,15,18H,6,9-11H2,1-3H3,(H,19,22)(H,20,21)
InChIKeyGCHCPEPTYJYPCN-UHFFFAOYSA-N
XLogP2.77
TPSA69.81 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.42
LogP ≤ 52.77
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-[1-(1H-benzimidazol-2-yl)-3-methylsulfanylpropyl]-4-(methylamino)butanamide;dihydrochloride
CID 119855271
N-[4-[[1-(1H-benzimidazol-2-yl)-3-methylbutyl]amino]-4-oxobutyl]thiophene-3-carboxamide
CID 55430565
N-[(1S)-1-(1H-benzimidazol-2-yl)-3-methylbutyl]-3-(4-methoxyphenyl)propanamide
CID 91638824
N-[1-(1H-benzimidazol-2-yl)-3-methylbutyl]-4-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)butanamide
CID 55430587
N-[(1S)-1-(1H-benzimidazol-2-yl)-3-methylbutyl]-6-(5,7-dioxopyrrolo[3,4-b]pyrazin-6-yl)hexanamide
CID 91639707
4-amino-N-[1-(1H-benzimidazol-2-yl)-3-methylbutyl]-3-methoxybutanamide;dihydrochloride
CID 120594898
2-(4-aminophenyl)-N-[1-(1H-benzimidazol-2-yl)-3-methylbutyl]acetamide;dihydrochloride
CID 119836753
N-[1-(1H-benzimidazol-2-yl)-3-methylbutyl]-6-[(1,1-dioxo-1,2-benzothiazol-3-ylidene)amino]hexanamide
CID 135996753
N-[(1S)-1-(1H-benzimidazol-2-yl)-3-methylbutyl]pyridine-2-carboxamide
CID 41036697
N-[1-(1H-benzimidazol-2-yl)-3-methylsulfanylpropyl]hexanamide
CID 46603847
N-[(1S)-1-(1H-benzimidazol-2-yl)-3-methylbutyl]-2-(3,5-dimethyl-1,2-oxazol-4-yl)acetamide
CID 40939197
2-amino-N-[1-(1H-benzimidazol-2-yl)-3-methylbutyl]pentanamide
CID 119836762

Frequently Asked Questions

What is the IUPAC name of N-[1-(1H-benzimidazol-2-yl)-3-methylbutyl]-4-(methylamino)butanamide?
The IUPAC name of N-[1-(1H-benzimidazol-2-yl)-3-methylbutyl]-4-(methylamino)butanamide (CID 119836758) is N-[1-(1H-benzimidazol-2-yl)-3-methylbutyl]-4-(methylamino)butanamide.
What is the SMILES notation for N-[1-(1H-benzimidazol-2-yl)-3-methylbutyl]-4-(methylamino)butanamide?
The canonical SMILES for N-[1-(1H-benzimidazol-2-yl)-3-methylbutyl]-4-(methylamino)butanamide is CNCCCC(=O)NC(CC(C)C)c1nc2ccccc2[nH]1.
What is the InChIKey of N-[1-(1H-benzimidazol-2-yl)-3-methylbutyl]-4-(methylamino)butanamide?
The InChIKey is GCHCPEPTYJYPCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N4O/c1-12(2)11-15(19-16(22)9-6-10-18-3)17-20-13-7-4-5-8-14(13)21-17/h4-5,7-8,12,15,18H,6,9-11H2,1-3H3,(H,19,22)(H,20,21).
What are the key properties of N-[1-(1H-benzimidazol-2-yl)-3-methylbutyl]-4-(methylamino)butanamide?
N-[1-(1H-benzimidazol-2-yl)-3-methylbutyl]-4-(methylamino)butanamide has a molecular weight of 302.42 g/mol, XLogP of 2.77, 8 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)-3-methylbutyl]-4-(methylamino)butanamide is sourced from PubChem (CID 119836758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).