N-[3-(1H-benzimidazol-2-yl)phenyl]-3-methylbutanamide

C18H19N3O — CID 4233329

IUPACN-[3-(1H-benzimidazol-2-yl)phenyl]-3-methylbutanamide
SMILESCC(C)CC(=O)Nc1cccc(-c2nc3ccccc3[nH]2)c1
InChIInChI=1S/C18H19N3O/c1-12(2)10-17(22)19-14-7-5-6-13(11-14)18-20-15-8-3-4-9-16(15)21-18/h3-9,11-12H,10H2,1-2H3,(H,19,22)(H,20,21)
InChIKeyMXMQGOVISCLRBZ-UHFFFAOYSA-N
MW293.37 g/mol
LogP4.21
Rot. Bonds4

About N-[3-(1H-benzimidazol-2-yl)phenyl]-3-methylbutanamide

N-[3-(1H-benzimidazol-2-yl)phenyl]-3-methylbutanamide (PubChem CID 4233329) has the molecular formula C18H19N3O and a molecular weight of 293.37 g/mol. Its IUPAC name is N-[3-(1H-benzimidazol-2-yl)phenyl]-3-methylbutanamide.

Molecular Properties

Compound NameN-[3-(1H-benzimidazol-2-yl)phenyl]-3-methylbutanamide
PubChem CID4233329
Molecular FormulaC18H19N3O
Molecular Weight293.37 g/mol
Exact Mass293.15
IUPAC NameN-[3-(1H-benzimidazol-2-yl)phenyl]-3-methylbutanamide
SMILESCC(C)CC(=O)Nc1cccc(-c2nc3ccccc3[nH]2)c1
InChIInChI=1S/C18H19N3O/c1-12(2)10-17(22)19-14-7-5-6-13(11-14)18-20-15-8-3-4-9-16(15)21-18/h3-9,11-12H,10H2,1-2H3,(H,19,22)(H,20,21)
InChIKeyMXMQGOVISCLRBZ-UHFFFAOYSA-N
XLogP4.21
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.37
LogP ≤ 54.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[3-(1H-benzimidazol-2-yl)phenyl]-3-methylbutanamide?
The IUPAC name of N-[3-(1H-benzimidazol-2-yl)phenyl]-3-methylbutanamide (CID 4233329) is N-[3-(1H-benzimidazol-2-yl)phenyl]-3-methylbutanamide.
What is the SMILES notation for N-[3-(1H-benzimidazol-2-yl)phenyl]-3-methylbutanamide?
The canonical SMILES for N-[3-(1H-benzimidazol-2-yl)phenyl]-3-methylbutanamide is CC(C)CC(=O)Nc1cccc(-c2nc3ccccc3[nH]2)c1.
What is the InChIKey of N-[3-(1H-benzimidazol-2-yl)phenyl]-3-methylbutanamide?
The InChIKey is MXMQGOVISCLRBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3O/c1-12(2)10-17(22)19-14-7-5-6-13(11-14)18-20-15-8-3-4-9-16(15)21-18/h3-9,11-12H,10H2,1-2H3,(H,19,22)(H,20,21).
What are the key properties of N-[3-(1H-benzimidazol-2-yl)phenyl]-3-methylbutanamide?
N-[3-(1H-benzimidazol-2-yl)phenyl]-3-methylbutanamide has a molecular weight of 293.37 g/mol, XLogP of 4.21, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(1H-benzimidazol-2-yl)phenyl]-3-methylbutanamide is sourced from PubChem (CID 4233329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).