3-methyl-N-[(2-propan-2-yl-3H-benzimidazol-5-yl)methyl]butanamide

C16H23N3O — CID 110785720

IUPAC3-methyl-N-[(2-propan-2-yl-3H-benzimidazol-5-yl)methyl]butanamide
SMILESCC(C)CC(=O)NCc1ccc2nc(C(C)C)[nH]c2c1
InChIInChI=1S/C16H23N3O/c1-10(2)7-15(20)17-9-12-5-6-13-14(8-12)19-16(18-13)11(3)4/h5-6,8,10-11H,7,9H2,1-4H3,(H,17,20)(H,18,19)
InChIKeyRYDQNTFFCSYCTC-UHFFFAOYSA-N
MW273.38 g/mol
LogP3.35
Rot. Bonds5

About 3-methyl-N-[(2-propan-2-yl-3H-benzimidazol-5-yl)methyl]butanamide

3-methyl-N-[(2-propan-2-yl-3H-benzimidazol-5-yl)methyl]butanamide (PubChem CID 110785720) has the molecular formula C16H23N3O and a molecular weight of 273.38 g/mol. Its IUPAC name is 3-methyl-N-[(2-propan-2-yl-3H-benzimidazol-5-yl)methyl]butanamide.

Molecular Properties

Compound Name3-methyl-N-[(2-propan-2-yl-3H-benzimidazol-5-yl)methyl]butanamide
PubChem CID110785720
Molecular FormulaC16H23N3O
Molecular Weight273.38 g/mol
Exact Mass273.18
IUPAC Name3-methyl-N-[(2-propan-2-yl-3H-benzimidazol-5-yl)methyl]butanamide
SMILESCC(C)CC(=O)NCc1ccc2nc(C(C)C)[nH]c2c1
InChIInChI=1S/C16H23N3O/c1-10(2)7-15(20)17-9-12-5-6-13-14(8-12)19-16(18-13)11(3)4/h5-6,8,10-11H,7,9H2,1-4H3,(H,17,20)(H,18,19)
InChIKeyRYDQNTFFCSYCTC-UHFFFAOYSA-N
XLogP3.35
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.38
LogP ≤ 53.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

methyl 4-oxo-4-[(2-propan-2-yl-3H-benzimidazol-5-yl)methylamino]butanoate
CID 110785722
N-[(2-propan-2-yl-3H-benzimidazol-5-yl)methyl]benzamide
CID 110785727
N-methyl-1-(2-propan-2-yl-3H-benzimidazol-5-yl)methanamine
CID 82491783
N-[(2-propan-2-yl-3H-benzimidazol-5-yl)methyl]pyridine-4-carboxamide;hydrochloride
CID 110785739
2-[(2-propan-2-yl-3H-benzimidazol-5-yl)methylamino]acetic acid
CID 82498520
N-(2-acetamidoethyl)-2-(2-propan-2-yl-3H-benzimidazol-5-yl)acetamide
CID 110772843
N-(2-methoxyethyl)-2-(2-propan-2-yl-3H-benzimidazol-5-yl)acetamide
CID 110772819
N-[(2-propan-2-yl-3H-benzimidazol-5-yl)methyl]methanesulfonamide
CID 110785750
methyl 3-(2-propan-2-yl-3H-benzimidazol-5-yl)propanoate
CID 99991101
N-[2-(2-propan-2-yl-3H-benzimidazol-5-yl)ethyl]pentanamide
CID 110791570
2-(2-propan-2-yl-3H-benzimidazol-5-yl)ethanol
CID 82491889
2-[2-(2-propan-2-yl-3H-benzimidazol-5-yl)ethylamino]acetic acid
CID 112519291

Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-[(2-propan-2-yl-3H-benzimidazol-5-yl)methyl]butanamide?
The IUPAC name of 3-methyl-N-[(2-propan-2-yl-3H-benzimidazol-5-yl)methyl]butanamide (CID 110785720) is 3-methyl-N-[(2-propan-2-yl-3H-benzimidazol-5-yl)methyl]butanamide.
What is the SMILES notation for 3-methyl-N-[(2-propan-2-yl-3H-benzimidazol-5-yl)methyl]butanamide?
The canonical SMILES for 3-methyl-N-[(2-propan-2-yl-3H-benzimidazol-5-yl)methyl]butanamide is CC(C)CC(=O)NCc1ccc2nc(C(C)C)[nH]c2c1.
What is the InChIKey of 3-methyl-N-[(2-propan-2-yl-3H-benzimidazol-5-yl)methyl]butanamide?
The InChIKey is RYDQNTFFCSYCTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O/c1-10(2)7-15(20)17-9-12-5-6-13-14(8-12)19-16(18-13)11(3)4/h5-6,8,10-11H,7,9H2,1-4H3,(H,17,20)(H,18,19).
What are the key properties of 3-methyl-N-[(2-propan-2-yl-3H-benzimidazol-5-yl)methyl]butanamide?
3-methyl-N-[(2-propan-2-yl-3H-benzimidazol-5-yl)methyl]butanamide has a molecular weight of 273.38 g/mol, XLogP of 3.35, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-[(2-propan-2-yl-3H-benzimidazol-5-yl)methyl]butanamide is sourced from PubChem (CID 110785720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).