3-[(6-amino-1H-benzimidazol-2-yl)-methylamino]-N,2-dimethylpropanamide

C13H19N5O — CID 106914294

IUPAC3-[(6-amino-1H-benzimidazol-2-yl)-methylamino]-N,2-dimethylpropanamide
SMILESCNC(=O)C(C)CN(C)c1nc2ccc(N)cc2[nH]1
InChIInChI=1S/C13H19N5O/c1-8(12(19)15-2)7-18(3)13-16-10-5-4-9(14)6-11(10)17-13/h4-6,8H,7,14H2,1-3H3,(H,15,19)(H,16,17)
InChIKeySYLBBGZPLCWSSK-UHFFFAOYSA-N
MW261.33 g/mol
LogP0.96
Rot. Bonds4

About 3-[(6-amino-1H-benzimidazol-2-yl)-methylamino]-N,2-dimethylpropanamide

3-[(6-amino-1H-benzimidazol-2-yl)-methylamino]-N,2-dimethylpropanamide (PubChem CID 106914294) has the molecular formula C13H19N5O and a molecular weight of 261.33 g/mol. Its IUPAC name is 3-[(6-amino-1H-benzimidazol-2-yl)-methylamino]-N,2-dimethylpropanamide.

Molecular Properties

Compound Name3-[(6-amino-1H-benzimidazol-2-yl)-methylamino]-N,2-dimethylpropanamide
PubChem CID106914294
Molecular FormulaC13H19N5O
Molecular Weight261.33 g/mol
Exact Mass261.16
IUPAC Name3-[(6-amino-1H-benzimidazol-2-yl)-methylamino]-N,2-dimethylpropanamide
SMILESCNC(=O)C(C)CN(C)c1nc2ccc(N)cc2[nH]1
InChIInChI=1S/C13H19N5O/c1-8(12(19)15-2)7-18(3)13-16-10-5-4-9(14)6-11(10)17-13/h4-6,8H,7,14H2,1-3H3,(H,15,19)(H,16,17)
InChIKeySYLBBGZPLCWSSK-UHFFFAOYSA-N
XLogP0.96
TPSA87.04 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.33
LogP ≤ 50.96
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

3-(4-amino-2-iodo-N-methylanilino)-N,2-dimethylpropanamide
CID 106914273
4-amino-N-methyl-2-[methyl-[2-methyl-3-(methylamino)-3-oxopropyl]amino]benzamide
CID 106914354
tert-butyl N-(6-amino-1H-benzimidazol-2-yl)-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate
CID 91420963
2-[(6-amino-1H-benzimidazol-2-yl)sulfonyl]-N,N-dimethylpropanamide
CID 61367440
(2R)-3-[(5-amino-3-pyridinyl)-methylamino]-N,2-dimethylpropanamide
CID 124681136
2-N-(2-ethoxyethyl)-2-N-methyl-3H-benzimidazole-2,5-diamine
CID 81059763
3-(2-amino-N-methylanilino)-N,2-dimethylpropanamide
CID 106914261
2-[(6-amino-1H-benzimidazol-2-yl)sulfonyl]-N-methyl-N-propan-2-ylacetamide
CID 61369726
3-[(5-amino-2-hydroxyphenyl)methyl-methylamino]-N,2-dimethylpropanamide
CID 106914812
2,4-diamino-N-methyl-N-[2-methyl-3-(methylamino)-3-oxopropyl]benzamide
CID 106913866
3-[(6-amino-1H-benzimidazol-2-yl)sulfinyl]-N-methylpropanamide
CID 62326631
N-(2-bromopropyl)-6-fluoro-N-methyl-1H-benzimidazol-2-amine
CID 103295600

Frequently Asked Questions

What is the IUPAC name of 3-[(6-amino-1H-benzimidazol-2-yl)-methylamino]-N,2-dimethylpropanamide?
The IUPAC name of 3-[(6-amino-1H-benzimidazol-2-yl)-methylamino]-N,2-dimethylpropanamide (CID 106914294) is 3-[(6-amino-1H-benzimidazol-2-yl)-methylamino]-N,2-dimethylpropanamide.
What is the SMILES notation for 3-[(6-amino-1H-benzimidazol-2-yl)-methylamino]-N,2-dimethylpropanamide?
The canonical SMILES for 3-[(6-amino-1H-benzimidazol-2-yl)-methylamino]-N,2-dimethylpropanamide is CNC(=O)C(C)CN(C)c1nc2ccc(N)cc2[nH]1.
What is the InChIKey of 3-[(6-amino-1H-benzimidazol-2-yl)-methylamino]-N,2-dimethylpropanamide?
The InChIKey is SYLBBGZPLCWSSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N5O/c1-8(12(19)15-2)7-18(3)13-16-10-5-4-9(14)6-11(10)17-13/h4-6,8H,7,14H2,1-3H3,(H,15,19)(H,16,17).
What are the key properties of 3-[(6-amino-1H-benzimidazol-2-yl)-methylamino]-N,2-dimethylpropanamide?
3-[(6-amino-1H-benzimidazol-2-yl)-methylamino]-N,2-dimethylpropanamide has a molecular weight of 261.33 g/mol, XLogP of 0.96, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(6-amino-1H-benzimidazol-2-yl)-methylamino]-N,2-dimethylpropanamide is sourced from PubChem (CID 106914294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).