2-(aminomethyl)-N-(1-methylbenzimidazol-5-yl)butanamide

C13H18N4O — CID 115186851

IUPAC2-(aminomethyl)-N-(1-methylbenzimidazol-5-yl)butanamide
SMILESCCC(CN)C(=O)Nc1ccc2c(c1)ncn2C
InChIInChI=1S/C13H18N4O/c1-3-9(7-14)13(18)16-10-4-5-12-11(6-10)15-8-17(12)2/h4-6,8-9H,3,7,14H2,1-2H3,(H,16,18)
InChIKeyXDELDCXFGDVZAO-UHFFFAOYSA-N
MW246.31 g/mol
LogP1.50
Rot. Bonds4

About 2-(aminomethyl)-N-(1-methylbenzimidazol-5-yl)butanamide

2-(aminomethyl)-N-(1-methylbenzimidazol-5-yl)butanamide (PubChem CID 115186851) has the molecular formula C13H18N4O and a molecular weight of 246.31 g/mol. Its IUPAC name is 2-(aminomethyl)-N-(1-methylbenzimidazol-5-yl)butanamide.

Molecular Properties

Compound Name2-(aminomethyl)-N-(1-methylbenzimidazol-5-yl)butanamide
PubChem CID115186851
Molecular FormulaC13H18N4O
Molecular Weight246.31 g/mol
Exact Mass246.15
IUPAC Name2-(aminomethyl)-N-(1-methylbenzimidazol-5-yl)butanamide
SMILESCCC(CN)C(=O)Nc1ccc2c(c1)ncn2C
InChIInChI=1S/C13H18N4O/c1-3-9(7-14)13(18)16-10-4-5-12-11(6-10)15-8-17(12)2/h4-6,8-9H,3,7,14H2,1-2H3,(H,16,18)
InChIKeyXDELDCXFGDVZAO-UHFFFAOYSA-N
XLogP1.50
TPSA72.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.31
LogP ≤ 51.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(1-methylbenzimidazol-5-yl)urea
CID 12521213
N-(1-methylbenzimidazol-5-yl)-2-oxopropanamide
CID 115175378
2-(aminomethyl)-N-(3H-benzimidazol-5-yl)butanamide
CID 115186850
N-(1-methylbenzimidazol-5-yl)cyclopropanecarboxamide
CID 110728508
2-(2-fluorophenyl)-N-(1-methylbenzimidazol-5-yl)acetamide
CID 110728564
2-(aminomethyl)-N-[4-(2-methylpropanoylamino)phenyl]butanamide
CID 65225572
2-(4-fluorophenyl)-N-(1-methylbenzimidazol-5-yl)acetamide
CID 110728531
2-(aminomethyl)-N-(4-iodophenyl)butanamide
CID 65225745
3-(dimethylamino)-2,2-difluoro-N-(1-methylbenzimidazol-5-yl)propanamide
CID 166390713
3-amino-2-hydroxy-N-[2-(1-methylbenzimidazol-5-yl)ethyl]propanamide
CID 115180781
3-methyl-N-(1-methylbenzimidazol-5-yl)thiophene-2-carboxamide
CID 112527462
ethyl 2-methyl-2-[(1-methylbenzimidazol-5-yl)amino]propanoate
CID 115128693

Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-N-(1-methylbenzimidazol-5-yl)butanamide?
The IUPAC name of 2-(aminomethyl)-N-(1-methylbenzimidazol-5-yl)butanamide (CID 115186851) is 2-(aminomethyl)-N-(1-methylbenzimidazol-5-yl)butanamide.
What is the SMILES notation for 2-(aminomethyl)-N-(1-methylbenzimidazol-5-yl)butanamide?
The canonical SMILES for 2-(aminomethyl)-N-(1-methylbenzimidazol-5-yl)butanamide is CCC(CN)C(=O)Nc1ccc2c(c1)ncn2C.
What is the InChIKey of 2-(aminomethyl)-N-(1-methylbenzimidazol-5-yl)butanamide?
The InChIKey is XDELDCXFGDVZAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N4O/c1-3-9(7-14)13(18)16-10-4-5-12-11(6-10)15-8-17(12)2/h4-6,8-9H,3,7,14H2,1-2H3,(H,16,18).
What are the key properties of 2-(aminomethyl)-N-(1-methylbenzimidazol-5-yl)butanamide?
2-(aminomethyl)-N-(1-methylbenzimidazol-5-yl)butanamide has a molecular weight of 246.31 g/mol, XLogP of 1.50, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethyl)-N-(1-methylbenzimidazol-5-yl)butanamide is sourced from PubChem (CID 115186851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).