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

C17H25N3O — CID 110786066

IUPAC2,2-dimethyl-N-[(2-methyl-1-propan-2-ylbenzimidazol-5-yl)methyl]propanamide
SMILESCc1nc2cc(CNC(=O)C(C)(C)C)ccc2n1C(C)C
InChIInChI=1S/C17H25N3O/c1-11(2)20-12(3)19-14-9-13(7-8-15(14)20)10-18-16(21)17(4,5)6/h7-9,11H,10H2,1-6H3,(H,18,21)
InChIKeyNZZMVNIBRYAINB-UHFFFAOYSA-N
MW287.41 g/mol
LogP3.59
Rot. Bonds3

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

2,2-dimethyl-N-[(2-methyl-1-propan-2-ylbenzimidazol-5-yl)methyl]propanamide (PubChem CID 110786066) has the molecular formula C17H25N3O and a molecular weight of 287.41 g/mol. Its IUPAC name is 2,2-dimethyl-N-[(2-methyl-1-propan-2-ylbenzimidazol-5-yl)methyl]propanamide.

Molecular Properties

Compound Name2,2-dimethyl-N-[(2-methyl-1-propan-2-ylbenzimidazol-5-yl)methyl]propanamide
PubChem CID110786066
Molecular FormulaC17H25N3O
Molecular Weight287.41 g/mol
Exact Mass287.20
IUPAC Name2,2-dimethyl-N-[(2-methyl-1-propan-2-ylbenzimidazol-5-yl)methyl]propanamide
SMILESCc1nc2cc(CNC(=O)C(C)(C)C)ccc2n1C(C)C
InChIInChI=1S/C17H25N3O/c1-11(2)20-12(3)19-14-9-13(7-8-15(14)20)10-18-16(21)17(4,5)6/h7-9,11H,10H2,1-6H3,(H,18,21)
InChIKeyNZZMVNIBRYAINB-UHFFFAOYSA-N
XLogP3.59
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.41
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-methyl-N-[(2-methyl-1-propan-2-ylbenzimidazol-5-yl)methyl]propanamide
CID 110786059
2-ethyl-N-[(2-methyl-1-propan-2-ylbenzimidazol-5-yl)methyl]butanamide
CID 110786068
N-[(2-methyl-1-propan-2-ylbenzimidazol-5-yl)methyl]pentanamide
CID 110786061
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]pyridine-2-carboxamide
CID 110794782
1-(2-methyl-1-propan-2-ylbenzimidazol-5-yl)propan-2-ol
CID 117336784
3-(2-methyl-1-propan-2-ylbenzimidazol-5-yl)propanal
CID 117332811
1-[(1,2-dimethylbenzimidazol-5-yl)methyl]-3-(2,2-dimethylpropyl)urea
CID 110775493
O-[2-(2-methyl-1-propan-2-ylbenzimidazol-5-yl)ethyl]hydroxylamine
CID 117338878
4-(2-methyl-1-propan-2-ylbenzimidazol-5-yl)butan-1-amine
CID 96675145
1-(2-methyl-1-propan-2-ylbenzimidazol-5-yl)-2-(propan-2-ylamino)ethanone
CID 96679913
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 2,2-dimethyl-N-[(2-methyl-1-propan-2-ylbenzimidazol-5-yl)methyl]propanamide?
The IUPAC name of 2,2-dimethyl-N-[(2-methyl-1-propan-2-ylbenzimidazol-5-yl)methyl]propanamide (CID 110786066) is 2,2-dimethyl-N-[(2-methyl-1-propan-2-ylbenzimidazol-5-yl)methyl]propanamide.
What is the SMILES notation for 2,2-dimethyl-N-[(2-methyl-1-propan-2-ylbenzimidazol-5-yl)methyl]propanamide?
The canonical SMILES for 2,2-dimethyl-N-[(2-methyl-1-propan-2-ylbenzimidazol-5-yl)methyl]propanamide is Cc1nc2cc(CNC(=O)C(C)(C)C)ccc2n1C(C)C.
What is the InChIKey of 2,2-dimethyl-N-[(2-methyl-1-propan-2-ylbenzimidazol-5-yl)methyl]propanamide?
The InChIKey is NZZMVNIBRYAINB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3O/c1-11(2)20-12(3)19-14-9-13(7-8-15(14)20)10-18-16(21)17(4,5)6/h7-9,11H,10H2,1-6H3,(H,18,21).
What are the key properties of 2,2-dimethyl-N-[(2-methyl-1-propan-2-ylbenzimidazol-5-yl)methyl]propanamide?
2,2-dimethyl-N-[(2-methyl-1-propan-2-ylbenzimidazol-5-yl)methyl]propanamide has a molecular weight of 287.41 g/mol, XLogP of 3.59, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-N-[(2-methyl-1-propan-2-ylbenzimidazol-5-yl)methyl]propanamide is sourced from PubChem (CID 110786066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).