5-[[(1R)-2-methyl-1-(6-methyl-1H-benzimidazol-2-yl)propyl]amino]-5-oxopentanoic acid

C17H23N3O3 — CID 124755764

IUPAC5-[[(1R)-2-methyl-1-(6-methyl-1H-benzimidazol-2-yl)propyl]amino]-5-oxopentanoic acid
SMILESCc1ccc2nc([C@H](NC(=O)CCCC(=O)O)C(C)C)[nH]c2c1
InChIInChI=1S/C17H23N3O3/c1-10(2)16(20-14(21)5-4-6-15(22)23)17-18-12-8-7-11(3)9-13(12)19-17/h7-10,16H,4-6H2,1-3H3,(H,18,19)(H,20,21)(H,22,23)/t16-/m1/s1
InChIKeyRDFKDDZGHAUAEJ-MRXNPFEDSA-N
MW317.39 g/mol
LogP2.94
Rot. Bonds7

About 5-[[(1R)-2-methyl-1-(6-methyl-1H-benzimidazol-2-yl)propyl]amino]-5-oxopentanoic acid

5-[[(1R)-2-methyl-1-(6-methyl-1H-benzimidazol-2-yl)propyl]amino]-5-oxopentanoic acid (PubChem CID 124755764) has the molecular formula C17H23N3O3 and a molecular weight of 317.39 g/mol. Its IUPAC name is 5-[[(1R)-2-methyl-1-(6-methyl-1H-benzimidazol-2-yl)propyl]amino]-5-oxopentanoic acid.

Molecular Properties

Compound Name5-[[(1R)-2-methyl-1-(6-methyl-1H-benzimidazol-2-yl)propyl]amino]-5-oxopentanoic acid
PubChem CID124755764
Molecular FormulaC17H23N3O3
Molecular Weight317.39 g/mol
Exact Mass317.17
IUPAC Name5-[[(1R)-2-methyl-1-(6-methyl-1H-benzimidazol-2-yl)propyl]amino]-5-oxopentanoic acid
SMILESCc1ccc2nc([C@H](NC(=O)CCCC(=O)O)C(C)C)[nH]c2c1
InChIInChI=1S/C17H23N3O3/c1-10(2)16(20-14(21)5-4-6-15(22)23)17-18-12-8-7-11(3)9-13(12)19-17/h7-10,16H,4-6H2,1-3H3,(H,18,19)(H,20,21)(H,22,23)/t16-/m1/s1
InChIKeyRDFKDDZGHAUAEJ-MRXNPFEDSA-N
XLogP2.94
TPSA95.08 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.39
LogP ≤ 52.94
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-methyl-1-(6-methyl-1H-benzimidazol-2-yl)propyl]-3-pyrazin-2-ylpropanamide
CID 118782048
N-[2-methyl-1-(6-methyl-1H-benzimidazol-2-yl)propyl]-3-(tetrazol-1-yl)propanamide
CID 131889490
N-[(1S)-2-methyl-1-(6-methyl-1H-benzimidazol-2-yl)propyl]-2-pyridin-2-ylacetamide
CID 99973307
2-(2,4-dioxoimidazolidin-1-yl)-N-[(1S)-2-methyl-1-(6-methyl-1H-benzimidazol-2-yl)propyl]acetamide
CID 95201522
N-[(1R)-2-methyl-1-(6-methyl-1H-benzimidazol-2-yl)propyl]pyridine-4-carboxamide
CID 95192585
2-ethyl-N-[(1S)-2-methyl-1-(6-methyl-1H-benzimidazol-2-yl)propyl]pyrimidine-5-carboxamide
CID 125164946
4,4,4-trifluoro-N-[(1R)-1-(6-methyl-1H-benzimidazol-2-yl)ethyl]butanamide
CID 124749354
1-N'-[2-methyl-1-(6-methyl-1H-benzimidazol-2-yl)propyl]cyclopropane-1,1-dicarboxamide
CID 86284531
5,6-dimethyl-N-[2-methyl-1-(6-methyl-1H-benzimidazol-2-yl)propyl]-2-oxo-1H-pyridine-3-carboxamide
CID 131935989
N-[1-(1H-benzimidazol-2-yl)-2-methylpropyl]butanamide
CID 47100277
N-[1-(1H-benzimidazol-2-yl)-2-methylpropyl]-2-(4-methylphenyl)acetamide
CID 51205905
3-amino-N-[1-(1H-benzimidazol-2-yl)-2-methylpropyl]propanamide;dihydrochloride
CID 119854046

Frequently Asked Questions

What is the IUPAC name of 5-[[(1R)-2-methyl-1-(6-methyl-1H-benzimidazol-2-yl)propyl]amino]-5-oxopentanoic acid?
The IUPAC name of 5-[[(1R)-2-methyl-1-(6-methyl-1H-benzimidazol-2-yl)propyl]amino]-5-oxopentanoic acid (CID 124755764) is 5-[[(1R)-2-methyl-1-(6-methyl-1H-benzimidazol-2-yl)propyl]amino]-5-oxopentanoic acid.
What is the SMILES notation for 5-[[(1R)-2-methyl-1-(6-methyl-1H-benzimidazol-2-yl)propyl]amino]-5-oxopentanoic acid?
The canonical SMILES for 5-[[(1R)-2-methyl-1-(6-methyl-1H-benzimidazol-2-yl)propyl]amino]-5-oxopentanoic acid is Cc1ccc2nc([C@H](NC(=O)CCCC(=O)O)C(C)C)[nH]c2c1.
What is the InChIKey of 5-[[(1R)-2-methyl-1-(6-methyl-1H-benzimidazol-2-yl)propyl]amino]-5-oxopentanoic acid?
The InChIKey is RDFKDDZGHAUAEJ-MRXNPFEDSA-N. The full InChI is InChI=1S/C17H23N3O3/c1-10(2)16(20-14(21)5-4-6-15(22)23)17-18-12-8-7-11(3)9-13(12)19-17/h7-10,16H,4-6H2,1-3H3,(H,18,19)(H,20,21)(H,22,23)/t16-/m1/s1.
What are the key properties of 5-[[(1R)-2-methyl-1-(6-methyl-1H-benzimidazol-2-yl)propyl]amino]-5-oxopentanoic acid?
5-[[(1R)-2-methyl-1-(6-methyl-1H-benzimidazol-2-yl)propyl]amino]-5-oxopentanoic acid has a molecular weight of 317.39 g/mol, XLogP of 2.94, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[(1R)-2-methyl-1-(6-methyl-1H-benzimidazol-2-yl)propyl]amino]-5-oxopentanoic acid is sourced from PubChem (CID 124755764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).