4-amino-N-(3H-benzimidazol-5-ylmethyl)-3,3-dimethylbutanamide

C14H20N4O — CID 115157341

IUPAC4-amino-N-(3H-benzimidazol-5-ylmethyl)-3,3-dimethylbutanamide
SMILESCC(C)(CN)CC(=O)NCc1ccc2nc[nH]c2c1
InChIInChI=1S/C14H20N4O/c1-14(2,8-15)6-13(19)16-7-10-3-4-11-12(5-10)18-9-17-11/h3-5,9H,6-8,15H2,1-2H3,(H,16,19)(H,17,18)
InChIKeyOGZNMHMKCOFMJN-UHFFFAOYSA-N
MW260.34 g/mol
LogP1.55
Rot. Bonds5

About 4-amino-N-(3H-benzimidazol-5-ylmethyl)-3,3-dimethylbutanamide

4-amino-N-(3H-benzimidazol-5-ylmethyl)-3,3-dimethylbutanamide (PubChem CID 115157341) has the molecular formula C14H20N4O and a molecular weight of 260.34 g/mol. Its IUPAC name is 4-amino-N-(3H-benzimidazol-5-ylmethyl)-3,3-dimethylbutanamide.

Molecular Properties

Compound Name4-amino-N-(3H-benzimidazol-5-ylmethyl)-3,3-dimethylbutanamide
PubChem CID115157341
Molecular FormulaC14H20N4O
Molecular Weight260.34 g/mol
Exact Mass260.16
IUPAC Name4-amino-N-(3H-benzimidazol-5-ylmethyl)-3,3-dimethylbutanamide
SMILESCC(C)(CN)CC(=O)NCc1ccc2nc[nH]c2c1
InChIInChI=1S/C14H20N4O/c1-14(2,8-15)6-13(19)16-7-10-3-4-11-12(5-10)18-9-17-11/h3-5,9H,6-8,15H2,1-2H3,(H,16,19)(H,17,18)
InChIKeyOGZNMHMKCOFMJN-UHFFFAOYSA-N
XLogP1.55
TPSA83.80 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.34
LogP ≤ 51.55
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-N-(3H-benzimidazol-5-ylmethyl)acetamide
CID 82491860
4-amino-N-(3H-benzimidazol-5-ylmethyl)-3-methylbutanamide
CID 115156392
N-(3H-benzimidazol-5-ylmethyl)-2-chloroacetamide
CID 146094481
1-(3H-benzimidazol-5-ylmethyl)-3-tert-butylurea
CID 110775445
N-[2-(3H-benzimidazol-5-yl)ethyl]-3,3-dimethylbutanamide
CID 110791381
N-(3H-benzimidazol-5-ylmethyl)carbamoyl chloride
CID 115194686
N-(3H-benzimidazol-5-ylmethyl)-2-(4-bromophenyl)acetamide
CID 110785506
N-(3H-benzimidazol-5-ylmethyl)-3-(4-fluorophenyl)propanamide
CID 110785494
methyl 2-(3H-benzimidazol-5-ylmethylamino)-2-oxoacetate
CID 115142411
N-[2-(3H-benzimidazol-5-ylmethylamino)-2-oxoethyl]benzamide
CID 110794693
2-acetamido-N-(3H-benzimidazol-5-ylmethyl)-2-methylpropanamide;formic acid
CID 154903850
(4R)-N-(3H-benzimidazol-5-ylmethyl)-4-pyrrolidin-1-ylpentanamide
CID 126453026

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-(3H-benzimidazol-5-ylmethyl)-3,3-dimethylbutanamide?
The IUPAC name of 4-amino-N-(3H-benzimidazol-5-ylmethyl)-3,3-dimethylbutanamide (CID 115157341) is 4-amino-N-(3H-benzimidazol-5-ylmethyl)-3,3-dimethylbutanamide.
What is the SMILES notation for 4-amino-N-(3H-benzimidazol-5-ylmethyl)-3,3-dimethylbutanamide?
The canonical SMILES for 4-amino-N-(3H-benzimidazol-5-ylmethyl)-3,3-dimethylbutanamide is CC(C)(CN)CC(=O)NCc1ccc2nc[nH]c2c1.
What is the InChIKey of 4-amino-N-(3H-benzimidazol-5-ylmethyl)-3,3-dimethylbutanamide?
The InChIKey is OGZNMHMKCOFMJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N4O/c1-14(2,8-15)6-13(19)16-7-10-3-4-11-12(5-10)18-9-17-11/h3-5,9H,6-8,15H2,1-2H3,(H,16,19)(H,17,18).
What are the key properties of 4-amino-N-(3H-benzimidazol-5-ylmethyl)-3,3-dimethylbutanamide?
4-amino-N-(3H-benzimidazol-5-ylmethyl)-3,3-dimethylbutanamide has a molecular weight of 260.34 g/mol, XLogP of 1.55, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-(3H-benzimidazol-5-ylmethyl)-3,3-dimethylbutanamide is sourced from PubChem (CID 115157341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).