5-amino-2-methyl-N-[2-(2-methylbenzimidazol-1-yl)ethyl]pentanamide

C16H24N4O — CID 104684754

IUPAC5-amino-2-methyl-N-[2-(2-methylbenzimidazol-1-yl)ethyl]pentanamide
SMILESCc1nc2ccccc2n1CCNC(=O)C(C)CCCN
InChIInChI=1S/C16H24N4O/c1-12(6-5-9-17)16(21)18-10-11-20-13(2)19-14-7-3-4-8-15(14)20/h3-4,7-8,12H,5-6,9-11,17H2,1-2H3,(H,18,21)
InChIKeyIKFWLURYCDTCTB-UHFFFAOYSA-N
MW288.39 g/mol
LogP1.84
Rot. Bonds7

About 5-amino-2-methyl-N-[2-(2-methylbenzimidazol-1-yl)ethyl]pentanamide

5-amino-2-methyl-N-[2-(2-methylbenzimidazol-1-yl)ethyl]pentanamide (PubChem CID 104684754) has the molecular formula C16H24N4O and a molecular weight of 288.39 g/mol. Its IUPAC name is 5-amino-2-methyl-N-[2-(2-methylbenzimidazol-1-yl)ethyl]pentanamide.

Molecular Properties

Compound Name5-amino-2-methyl-N-[2-(2-methylbenzimidazol-1-yl)ethyl]pentanamide
PubChem CID104684754
Molecular FormulaC16H24N4O
Molecular Weight288.39 g/mol
Exact Mass288.20
IUPAC Name5-amino-2-methyl-N-[2-(2-methylbenzimidazol-1-yl)ethyl]pentanamide
SMILESCc1nc2ccccc2n1CCNC(=O)C(C)CCCN
InChIInChI=1S/C16H24N4O/c1-12(6-5-9-17)16(21)18-10-11-20-13(2)19-14-7-3-4-8-15(14)20/h3-4,7-8,12H,5-6,9-11,17H2,1-2H3,(H,18,21)
InChIKeyIKFWLURYCDTCTB-UHFFFAOYSA-N
XLogP1.84
TPSA72.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.39
LogP ≤ 51.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-2-amino-N-[2-(2-methylbenzimidazol-1-yl)ethyl]propanamide
CID 78968968
2-(aminomethyl)-3-methyl-N-[2-(2-methylbenzimidazol-1-yl)ethyl]butanamide
CID 65229175
6-amino-N-[2-(2-methylbenzimidazol-1-yl)ethyl]hexanamide
CID 61275163
1-(3-hydroxybutyl)-3-[2-(2-methylbenzimidazol-1-yl)ethyl]urea
CID 111337075
(2S)-2-amino-4-methyl-N-[2-(2-methylbenzimidazol-1-yl)ethyl]pentanamide
CID 61274419
3-amino-N-[2-(2-methylbenzimidazol-1-yl)ethyl]butanamide
CID 61276149
(2R)-2-amino-3,3-dimethyl-N-[2-(2-methylbenzimidazol-1-yl)ethyl]butanamide
CID 103929612
1-[(2-fluorophenyl)methyl]-3-[2-(2-methylbenzimidazol-1-yl)ethyl]urea
CID 38946290
1-(aminomethyl)-N-[2-(2-methylbenzimidazol-1-yl)ethyl]cyclopentane-1-carboxamide;dihydrochloride
CID 119835380
2-benzylsulfanyl-N-[2-(2-methylbenzimidazol-1-yl)ethyl]propanamide
CID 55775708
ethyl 3-[2-(2-methylbenzimidazol-1-yl)ethylcarbamoylamino]propanoate
CID 46287068
N-[1-[2-(2-methylbenzimidazol-1-yl)ethylamino]-1-oxopropan-2-yl]thiophene-2-carboxamide
CID 51302369

Frequently Asked Questions

What is the IUPAC name of 5-amino-2-methyl-N-[2-(2-methylbenzimidazol-1-yl)ethyl]pentanamide?
The IUPAC name of 5-amino-2-methyl-N-[2-(2-methylbenzimidazol-1-yl)ethyl]pentanamide (CID 104684754) is 5-amino-2-methyl-N-[2-(2-methylbenzimidazol-1-yl)ethyl]pentanamide.
What is the SMILES notation for 5-amino-2-methyl-N-[2-(2-methylbenzimidazol-1-yl)ethyl]pentanamide?
The canonical SMILES for 5-amino-2-methyl-N-[2-(2-methylbenzimidazol-1-yl)ethyl]pentanamide is Cc1nc2ccccc2n1CCNC(=O)C(C)CCCN.
What is the InChIKey of 5-amino-2-methyl-N-[2-(2-methylbenzimidazol-1-yl)ethyl]pentanamide?
The InChIKey is IKFWLURYCDTCTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N4O/c1-12(6-5-9-17)16(21)18-10-11-20-13(2)19-14-7-3-4-8-15(14)20/h3-4,7-8,12H,5-6,9-11,17H2,1-2H3,(H,18,21).
What are the key properties of 5-amino-2-methyl-N-[2-(2-methylbenzimidazol-1-yl)ethyl]pentanamide?
5-amino-2-methyl-N-[2-(2-methylbenzimidazol-1-yl)ethyl]pentanamide has a molecular weight of 288.39 g/mol, XLogP of 1.84, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-2-methyl-N-[2-(2-methylbenzimidazol-1-yl)ethyl]pentanamide is sourced from PubChem (CID 104684754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).