4-amino-2,2-dimethyl-N-(2-methyl-3H-benzimidazol-5-yl)butanamide

C14H20N4O — CID 115156908

IUPAC4-amino-2,2-dimethyl-N-(2-methyl-3H-benzimidazol-5-yl)butanamide
SMILESCc1nc2ccc(NC(=O)C(C)(C)CCN)cc2[nH]1
InChIInChI=1S/C14H20N4O/c1-9-16-11-5-4-10(8-12(11)17-9)18-13(19)14(2,3)6-7-15/h4-5,8H,6-7,15H2,1-3H3,(H,16,17)(H,18,19)
InChIKeyHIMKBRRGOUYJEO-UHFFFAOYSA-N
MW260.34 g/mol
LogP2.18
Rot. Bonds4

About 4-amino-2,2-dimethyl-N-(2-methyl-3H-benzimidazol-5-yl)butanamide

4-amino-2,2-dimethyl-N-(2-methyl-3H-benzimidazol-5-yl)butanamide (PubChem CID 115156908) has the molecular formula C14H20N4O and a molecular weight of 260.34 g/mol. Its IUPAC name is 4-amino-2,2-dimethyl-N-(2-methyl-3H-benzimidazol-5-yl)butanamide.

Molecular Properties

Compound Name4-amino-2,2-dimethyl-N-(2-methyl-3H-benzimidazol-5-yl)butanamide
PubChem CID115156908
Molecular FormulaC14H20N4O
Molecular Weight260.34 g/mol
Exact Mass260.16
IUPAC Name4-amino-2,2-dimethyl-N-(2-methyl-3H-benzimidazol-5-yl)butanamide
SMILESCc1nc2ccc(NC(=O)C(C)(C)CCN)cc2[nH]1
InChIInChI=1S/C14H20N4O/c1-9-16-11-5-4-10(8-12(11)17-9)18-13(19)14(2,3)6-7-15/h4-5,8H,6-7,15H2,1-3H3,(H,16,17)(H,18,19)
InChIKeyHIMKBRRGOUYJEO-UHFFFAOYSA-N
XLogP2.18
TPSA83.80 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.34
LogP ≤ 52.18
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-3,3,3-trifluoro-2-methyl-N-(2-methyl-3H-benzimidazol-5-yl)propanamide
CID 79797650
3-chloro-N-(2-methyl-3H-benzimidazol-5-yl)propanamide
CID 43700582
N-(2-methyl-3H-benzimidazol-5-yl)-3-oxobutanamide
CID 61250337
2-anilino-N-(2-methyl-3H-benzimidazol-5-yl)acetamide
CID 60860935
(2S)-2-amino-N-(2-methyl-3H-benzimidazol-5-yl)butanamide
CID 79024217
2,2-dimethyl-N'-(2-methyl-3H-benzimidazol-5-yl)propane-1,3-diamine
CID 115199843
4-[[(2-methyl-3H-benzimidazol-5-yl)amino]methyl]benzoic acid
CID 65347579
3-methyl-1-N-(2-methyl-3H-benzimidazol-5-yl)butane-1,3-diamine
CID 115200406
2,2-difluoro-N-(2-methyl-3H-benzimidazol-5-yl)acetamide
CID 103515060
2-methyl-3-(methylamino)-N-(2-methyl-3H-benzimidazol-5-yl)propanamide
CID 79195442
4-hydroxy-N-(2-methyl-3H-benzimidazol-5-yl)butanamide
CID 79204355
4-[[(2-methyl-3H-benzimidazol-5-yl)amino]methyl]benzamide
CID 43791195

Frequently Asked Questions

What is the IUPAC name of 4-amino-2,2-dimethyl-N-(2-methyl-3H-benzimidazol-5-yl)butanamide?
The IUPAC name of 4-amino-2,2-dimethyl-N-(2-methyl-3H-benzimidazol-5-yl)butanamide (CID 115156908) is 4-amino-2,2-dimethyl-N-(2-methyl-3H-benzimidazol-5-yl)butanamide.
What is the SMILES notation for 4-amino-2,2-dimethyl-N-(2-methyl-3H-benzimidazol-5-yl)butanamide?
The canonical SMILES for 4-amino-2,2-dimethyl-N-(2-methyl-3H-benzimidazol-5-yl)butanamide is Cc1nc2ccc(NC(=O)C(C)(C)CCN)cc2[nH]1.
What is the InChIKey of 4-amino-2,2-dimethyl-N-(2-methyl-3H-benzimidazol-5-yl)butanamide?
The InChIKey is HIMKBRRGOUYJEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N4O/c1-9-16-11-5-4-10(8-12(11)17-9)18-13(19)14(2,3)6-7-15/h4-5,8H,6-7,15H2,1-3H3,(H,16,17)(H,18,19).
What are the key properties of 4-amino-2,2-dimethyl-N-(2-methyl-3H-benzimidazol-5-yl)butanamide?
4-amino-2,2-dimethyl-N-(2-methyl-3H-benzimidazol-5-yl)butanamide has a molecular weight of 260.34 g/mol, XLogP of 2.18, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-2,2-dimethyl-N-(2-methyl-3H-benzimidazol-5-yl)butanamide is sourced from PubChem (CID 115156908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).