N-[3-[(1S)-7-methoxy-2-methyl-1,2,3,4-tetrahydronaphthalen-1-yl]propyl]-3H-benzimidazole-5-carboxamide

C23H27N3O2 — CID 129168649

IUPACN-[3-[(1S)-7-methoxy-2-methyl-1,2,3,4-tetrahydronaphthalen-1-yl]propyl]-3H-benzimidazole-5-carboxamide
SMILESCOc1ccc2c(c1)[C@@H](CCCNC(=O)c1ccc3nc[nH]c3c1)C(C)CC2
InChIInChI=1S/C23H27N3O2/c1-15-5-6-16-7-9-18(28-2)13-20(16)19(15)4-3-11-24-23(27)17-8-10-21-22(12-17)26-14-25-21/h7-10,12-15,19H,3-6,11H2,1-2H3,(H,24,27)(H,25,26)/t15?,19-/m0/s1
InChIKeyZDYQTLRFSLKTFU-FUBQLUNQSA-N
MW377.49 g/mol
LogP4.45
Rot. Bonds6

About N-[3-[(1S)-7-methoxy-2-methyl-1,2,3,4-tetrahydronaphthalen-1-yl]propyl]-3H-benzimidazole-5-carboxamide

N-[3-[(1S)-7-methoxy-2-methyl-1,2,3,4-tetrahydronaphthalen-1-yl]propyl]-3H-benzimidazole-5-carboxamide (PubChem CID 129168649) has the molecular formula C23H27N3O2 and a molecular weight of 377.49 g/mol. Its IUPAC name is N-[3-[(1S)-7-methoxy-2-methyl-1,2,3,4-tetrahydronaphthalen-1-yl]propyl]-3H-benzimidazole-5-carboxamide.

Molecular Properties

Compound NameN-[3-[(1S)-7-methoxy-2-methyl-1,2,3,4-tetrahydronaphthalen-1-yl]propyl]-3H-benzimidazole-5-carboxamide
PubChem CID129168649
Molecular FormulaC23H27N3O2
Molecular Weight377.49 g/mol
Exact Mass377.21
IUPAC NameN-[3-[(1S)-7-methoxy-2-methyl-1,2,3,4-tetrahydronaphthalen-1-yl]propyl]-3H-benzimidazole-5-carboxamide
SMILESCOc1ccc2c(c1)[C@@H](CCCNC(=O)c1ccc3nc[nH]c3c1)C(C)CC2
InChIInChI=1S/C23H27N3O2/c1-15-5-6-16-7-9-18(28-2)13-20(16)19(15)4-3-11-24-23(27)17-8-10-21-22(12-17)26-14-25-21/h7-10,12-15,19H,3-6,11H2,1-2H3,(H,24,27)(H,25,26)/t15?,19-/m0/s1
InChIKeyZDYQTLRFSLKTFU-FUBQLUNQSA-N
XLogP4.45
TPSA67.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.49
LogP ≤ 54.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[3-[(1R)-5-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl]propyl]-3H-benzimidazole-5-carboxamide
CID 129168538
N-[3-(2-methoxyethoxy)propyl]-3H-benzimidazole-5-carboxamide
CID 60668649
N-[2-(4-hydroxycyclohexyl)ethyl]-3H-benzimidazole-5-carboxamide
CID 162475309
7-(3H-benzimidazole-5-carbonylamino)heptanoic acid
CID 24701477
6-(3H-benzimidazole-5-carbonylamino)hexanoic acid
CID 24693312
N-(2-acetamidoethyl)-3H-benzimidazole-5-carboxamide
CID 43397895
N-[2-(3,4,5-trimethoxyphenyl)ethyl]-3H-benzimidazole-5-carboxamide
CID 146025489
N-(4-aminobutyl)-3H-benzimidazole-5-carboxamide;hydrochloride
CID 162475318
N-[(2-methylcyclopentyl)methyl]-3H-benzimidazole-5-carboxamide
CID 107420236
N-[2-[methyl(propan-2-yl)amino]ethyl]-3H-benzimidazole-5-carboxamide
CID 62635083
N-(3-ethenoxypropyl)-3H-benzimidazole-5-carboxamide
CID 60670634
N-[2-(4-oxopentanoylamino)ethyl]-3H-benzimidazole-5-carboxamide
CID 108542186

Frequently Asked Questions

What is the IUPAC name of N-[3-[(1S)-7-methoxy-2-methyl-1,2,3,4-tetrahydronaphthalen-1-yl]propyl]-3H-benzimidazole-5-carboxamide?
The IUPAC name of N-[3-[(1S)-7-methoxy-2-methyl-1,2,3,4-tetrahydronaphthalen-1-yl]propyl]-3H-benzimidazole-5-carboxamide (CID 129168649) is N-[3-[(1S)-7-methoxy-2-methyl-1,2,3,4-tetrahydronaphthalen-1-yl]propyl]-3H-benzimidazole-5-carboxamide.
What is the SMILES notation for N-[3-[(1S)-7-methoxy-2-methyl-1,2,3,4-tetrahydronaphthalen-1-yl]propyl]-3H-benzimidazole-5-carboxamide?
The canonical SMILES for N-[3-[(1S)-7-methoxy-2-methyl-1,2,3,4-tetrahydronaphthalen-1-yl]propyl]-3H-benzimidazole-5-carboxamide is COc1ccc2c(c1)[C@@H](CCCNC(=O)c1ccc3nc[nH]c3c1)C(C)CC2.
What is the InChIKey of N-[3-[(1S)-7-methoxy-2-methyl-1,2,3,4-tetrahydronaphthalen-1-yl]propyl]-3H-benzimidazole-5-carboxamide?
The InChIKey is ZDYQTLRFSLKTFU-FUBQLUNQSA-N. The full InChI is InChI=1S/C23H27N3O2/c1-15-5-6-16-7-9-18(28-2)13-20(16)19(15)4-3-11-24-23(27)17-8-10-21-22(12-17)26-14-25-21/h7-10,12-15,19H,3-6,11H2,1-2H3,(H,24,27)(H,25,26)/t15?,19-/m0/s1.
What are the key properties of N-[3-[(1S)-7-methoxy-2-methyl-1,2,3,4-tetrahydronaphthalen-1-yl]propyl]-3H-benzimidazole-5-carboxamide?
N-[3-[(1S)-7-methoxy-2-methyl-1,2,3,4-tetrahydronaphthalen-1-yl]propyl]-3H-benzimidazole-5-carboxamide has a molecular weight of 377.49 g/mol, XLogP of 4.45, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[(1S)-7-methoxy-2-methyl-1,2,3,4-tetrahydronaphthalen-1-yl]propyl]-3H-benzimidazole-5-carboxamide is sourced from PubChem (CID 129168649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).