2-methyl-N-[(2-methyl-1-propan-2-ylbenzimidazol-5-yl)methyl]propanamide

C16H23N3O — CID 110786059

IUPAC2-methyl-N-[(2-methyl-1-propan-2-ylbenzimidazol-5-yl)methyl]propanamide
SMILESCc1nc2cc(CNC(=O)C(C)C)ccc2n1C(C)C
InChIInChI=1S/C16H23N3O/c1-10(2)16(20)17-9-13-6-7-15-14(8-13)18-12(5)19(15)11(3)4/h6-8,10-11H,9H2,1-5H3,(H,17,20)
InChIKeyJLEJRJRCZXRSBS-UHFFFAOYSA-N
MW273.38 g/mol
LogP3.20
Rot. Bonds4

About 2-methyl-N-[(2-methyl-1-propan-2-ylbenzimidazol-5-yl)methyl]propanamide

2-methyl-N-[(2-methyl-1-propan-2-ylbenzimidazol-5-yl)methyl]propanamide (PubChem CID 110786059) has the molecular formula C16H23N3O and a molecular weight of 273.38 g/mol. Its IUPAC name is 2-methyl-N-[(2-methyl-1-propan-2-ylbenzimidazol-5-yl)methyl]propanamide.

Molecular Properties

Compound Name2-methyl-N-[(2-methyl-1-propan-2-ylbenzimidazol-5-yl)methyl]propanamide
PubChem CID110786059
Molecular FormulaC16H23N3O
Molecular Weight273.38 g/mol
Exact Mass273.18
IUPAC Name2-methyl-N-[(2-methyl-1-propan-2-ylbenzimidazol-5-yl)methyl]propanamide
SMILESCc1nc2cc(CNC(=O)C(C)C)ccc2n1C(C)C
InChIInChI=1S/C16H23N3O/c1-10(2)16(20)17-9-13-6-7-15-14(8-13)18-12(5)19(15)11(3)4/h6-8,10-11H,9H2,1-5H3,(H,17,20)
InChIKeyJLEJRJRCZXRSBS-UHFFFAOYSA-N
XLogP3.20
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.38
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-ethyl-N-[(2-methyl-1-propan-2-ylbenzimidazol-5-yl)methyl]butanamide
CID 110786068
2,2-dimethyl-N-[(2-methyl-1-propan-2-ylbenzimidazol-5-yl)methyl]propanamide
CID 110786066
N-[(2-methyl-1-propan-2-ylbenzimidazol-5-yl)methyl]pyridine-4-carboxamide
CID 110786086
N-[(2-methyl-1-propan-2-ylbenzimidazol-5-yl)methyl]pentanamide
CID 110786061
N-[(2-methyl-1-propan-2-ylbenzimidazol-5-yl)methyl]pyridine-2-carboxamide
CID 110794782
1-(2-methyl-1-propan-2-ylbenzimidazol-5-yl)propan-2-ol
CID 117336784
N-[(1,2-dimethylbenzimidazol-5-yl)methyl]-2-ethylbutanamide
CID 110785953
3-(2-methyl-1-propan-2-ylbenzimidazol-5-yl)propanal
CID 117332811
N-[(1,2-dimethylbenzimidazol-5-yl)methyl]-2-ethoxypropanamide
CID 119059423
O-[2-(2-methyl-1-propan-2-ylbenzimidazol-5-yl)ethyl]hydroxylamine
CID 117338878
2-(4-methoxyphenyl)-N-(2-methyl-1-propan-2-ylbenzimidazol-5-yl)acetamide
CID 110779308
N-butyl-N-methyl-2-(2-methyl-1-propan-2-ylbenzimidazol-5-yl)acetamide
CID 110773275

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[(2-methyl-1-propan-2-ylbenzimidazol-5-yl)methyl]propanamide?
The IUPAC name of 2-methyl-N-[(2-methyl-1-propan-2-ylbenzimidazol-5-yl)methyl]propanamide (CID 110786059) is 2-methyl-N-[(2-methyl-1-propan-2-ylbenzimidazol-5-yl)methyl]propanamide.
What is the SMILES notation for 2-methyl-N-[(2-methyl-1-propan-2-ylbenzimidazol-5-yl)methyl]propanamide?
The canonical SMILES for 2-methyl-N-[(2-methyl-1-propan-2-ylbenzimidazol-5-yl)methyl]propanamide is Cc1nc2cc(CNC(=O)C(C)C)ccc2n1C(C)C.
What is the InChIKey of 2-methyl-N-[(2-methyl-1-propan-2-ylbenzimidazol-5-yl)methyl]propanamide?
The InChIKey is JLEJRJRCZXRSBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O/c1-10(2)16(20)17-9-13-6-7-15-14(8-13)18-12(5)19(15)11(3)4/h6-8,10-11H,9H2,1-5H3,(H,17,20).
What are the key properties of 2-methyl-N-[(2-methyl-1-propan-2-ylbenzimidazol-5-yl)methyl]propanamide?
2-methyl-N-[(2-methyl-1-propan-2-ylbenzimidazol-5-yl)methyl]propanamide has a molecular weight of 273.38 g/mol, XLogP of 3.20, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[(2-methyl-1-propan-2-ylbenzimidazol-5-yl)methyl]propanamide is sourced from PubChem (CID 110786059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).