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

C18H27N3O — CID 110786068

IUPAC2-ethyl-N-[(2-methyl-1-propan-2-ylbenzimidazol-5-yl)methyl]butanamide
SMILESCCC(CC)C(=O)NCc1ccc2c(c1)nc(C)n2C(C)C
InChIInChI=1S/C18H27N3O/c1-6-15(7-2)18(22)19-11-14-8-9-17-16(10-14)20-13(5)21(17)12(3)4/h8-10,12,15H,6-7,11H2,1-5H3,(H,19,22)
InChIKeyAKNGKBQHTOPMQD-UHFFFAOYSA-N
MW301.43 g/mol
LogP3.98
Rot. Bonds6

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

2-ethyl-N-[(2-methyl-1-propan-2-ylbenzimidazol-5-yl)methyl]butanamide (PubChem CID 110786068) has the molecular formula C18H27N3O and a molecular weight of 301.43 g/mol. Its IUPAC name is 2-ethyl-N-[(2-methyl-1-propan-2-ylbenzimidazol-5-yl)methyl]butanamide.

Molecular Properties

Compound Name2-ethyl-N-[(2-methyl-1-propan-2-ylbenzimidazol-5-yl)methyl]butanamide
PubChem CID110786068
Molecular FormulaC18H27N3O
Molecular Weight301.43 g/mol
Exact Mass301.22
IUPAC Name2-ethyl-N-[(2-methyl-1-propan-2-ylbenzimidazol-5-yl)methyl]butanamide
SMILESCCC(CC)C(=O)NCc1ccc2c(c1)nc(C)n2C(C)C
InChIInChI=1S/C18H27N3O/c1-6-15(7-2)18(22)19-11-14-8-9-17-16(10-14)20-13(5)21(17)12(3)4/h8-10,12,15H,6-7,11H2,1-5H3,(H,19,22)
InChIKeyAKNGKBQHTOPMQD-UHFFFAOYSA-N
XLogP3.98
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.43
LogP ≤ 53.98
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
N-[(1,2-dimethylbenzimidazol-5-yl)methyl]-2-ethylbutanamide
CID 110785953
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-ethoxypropanamide
CID 119059423
2-ethyl-N-(quinoxalin-6-ylmethyl)butanamide
CID 110672201
N-butyl-N-methyl-2-(2-methyl-1-propan-2-ylbenzimidazol-5-yl)acetamide
CID 110773275
3-(2-methyl-1-propan-2-ylbenzimidazol-5-yl)propanal
CID 117332811
O-[2-(2-methyl-1-propan-2-ylbenzimidazol-5-yl)ethyl]hydroxylamine
CID 117338878

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-N-[(2-methyl-1-propan-2-ylbenzimidazol-5-yl)methyl]butanamide?
The IUPAC name of 2-ethyl-N-[(2-methyl-1-propan-2-ylbenzimidazol-5-yl)methyl]butanamide (CID 110786068) is 2-ethyl-N-[(2-methyl-1-propan-2-ylbenzimidazol-5-yl)methyl]butanamide.
What is the SMILES notation for 2-ethyl-N-[(2-methyl-1-propan-2-ylbenzimidazol-5-yl)methyl]butanamide?
The canonical SMILES for 2-ethyl-N-[(2-methyl-1-propan-2-ylbenzimidazol-5-yl)methyl]butanamide is CCC(CC)C(=O)NCc1ccc2c(c1)nc(C)n2C(C)C.
What is the InChIKey of 2-ethyl-N-[(2-methyl-1-propan-2-ylbenzimidazol-5-yl)methyl]butanamide?
The InChIKey is AKNGKBQHTOPMQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N3O/c1-6-15(7-2)18(22)19-11-14-8-9-17-16(10-14)20-13(5)21(17)12(3)4/h8-10,12,15H,6-7,11H2,1-5H3,(H,19,22).
What are the key properties of 2-ethyl-N-[(2-methyl-1-propan-2-ylbenzimidazol-5-yl)methyl]butanamide?
2-ethyl-N-[(2-methyl-1-propan-2-ylbenzimidazol-5-yl)methyl]butanamide has a molecular weight of 301.43 g/mol, XLogP of 3.98, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-N-[(2-methyl-1-propan-2-ylbenzimidazol-5-yl)methyl]butanamide is sourced from PubChem (CID 110786068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).