N-(1-amino-2,3-dimethylbutan-2-yl)-3-(4-methyl-1H-benzimidazol-2-yl)propanamide

C17H26N4O — CID 119607252

IUPACN-(1-amino-2,3-dimethylbutan-2-yl)-3-(4-methyl-1H-benzimidazol-2-yl)propanamide
SMILESCc1cccc2[nH]c(CCC(=O)NC(C)(CN)C(C)C)nc12
InChIInChI=1S/C17H26N4O/c1-11(2)17(4,10-18)21-15(22)9-8-14-19-13-7-5-6-12(3)16(13)20-14/h5-7,11H,8-10,18H2,1-4H3,(H,19,20)(H,21,22)
InChIKeyKUERKZXCUQREQS-UHFFFAOYSA-N
MW302.42 g/mol
LogP2.29
Rot. Bonds6

About N-(1-amino-2,3-dimethylbutan-2-yl)-3-(4-methyl-1H-benzimidazol-2-yl)propanamide

N-(1-amino-2,3-dimethylbutan-2-yl)-3-(4-methyl-1H-benzimidazol-2-yl)propanamide (PubChem CID 119607252) has the molecular formula C17H26N4O and a molecular weight of 302.42 g/mol. Its IUPAC name is N-(1-amino-2,3-dimethylbutan-2-yl)-3-(4-methyl-1H-benzimidazol-2-yl)propanamide.

Molecular Properties

Compound NameN-(1-amino-2,3-dimethylbutan-2-yl)-3-(4-methyl-1H-benzimidazol-2-yl)propanamide
PubChem CID119607252
Molecular FormulaC17H26N4O
Molecular Weight302.42 g/mol
Exact Mass302.21
IUPAC NameN-(1-amino-2,3-dimethylbutan-2-yl)-3-(4-methyl-1H-benzimidazol-2-yl)propanamide
SMILESCc1cccc2[nH]c(CCC(=O)NC(C)(CN)C(C)C)nc12
InChIInChI=1S/C17H26N4O/c1-11(2)17(4,10-18)21-15(22)9-8-14-19-13-7-5-6-12(3)16(13)20-14/h5-7,11H,8-10,18H2,1-4H3,(H,19,20)(H,21,22)
InChIKeyKUERKZXCUQREQS-UHFFFAOYSA-N
XLogP2.29
TPSA83.80 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.42
LogP ≤ 52.29
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(1-amino-2,3-dimethylbutan-2-yl)-3-(4-methyl-1H-benzimidazol-2-yl)propanamide?
The IUPAC name of N-(1-amino-2,3-dimethylbutan-2-yl)-3-(4-methyl-1H-benzimidazol-2-yl)propanamide (CID 119607252) is N-(1-amino-2,3-dimethylbutan-2-yl)-3-(4-methyl-1H-benzimidazol-2-yl)propanamide.
What is the SMILES notation for N-(1-amino-2,3-dimethylbutan-2-yl)-3-(4-methyl-1H-benzimidazol-2-yl)propanamide?
The canonical SMILES for N-(1-amino-2,3-dimethylbutan-2-yl)-3-(4-methyl-1H-benzimidazol-2-yl)propanamide is Cc1cccc2[nH]c(CCC(=O)NC(C)(CN)C(C)C)nc12.
What is the InChIKey of N-(1-amino-2,3-dimethylbutan-2-yl)-3-(4-methyl-1H-benzimidazol-2-yl)propanamide?
The InChIKey is KUERKZXCUQREQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N4O/c1-11(2)17(4,10-18)21-15(22)9-8-14-19-13-7-5-6-12(3)16(13)20-14/h5-7,11H,8-10,18H2,1-4H3,(H,19,20)(H,21,22).
What are the key properties of N-(1-amino-2,3-dimethylbutan-2-yl)-3-(4-methyl-1H-benzimidazol-2-yl)propanamide?
N-(1-amino-2,3-dimethylbutan-2-yl)-3-(4-methyl-1H-benzimidazol-2-yl)propanamide has a molecular weight of 302.42 g/mol, XLogP of 2.29, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-amino-2,3-dimethylbutan-2-yl)-3-(4-methyl-1H-benzimidazol-2-yl)propanamide is sourced from PubChem (CID 119607252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).