N-[2-(7-hydroxy-1-methyl-3,4-dihydro-2H-naphthalen-1-yl)ethyl]-3H-benzimidazole-5-carboxamide

C21H23N3O2 — CID 71011959

IUPACN-[2-(7-hydroxy-1-methyl-3,4-dihydro-2H-naphthalen-1-yl)ethyl]-3H-benzimidazole-5-carboxamide
SMILESCC1(CCNC(=O)c2ccc3nc[nH]c3c2)CCCc2ccc(O)cc21
InChIInChI=1S/C21H23N3O2/c1-21(8-2-3-14-4-6-16(25)12-17(14)21)9-10-22-20(26)15-5-7-18-19(11-15)24-13-23-18/h4-7,11-13,25H,2-3,8-10H2,1H3,(H,22,26)(H,23,24)
InChIKeyUMDOFAKWPDZADJ-UHFFFAOYSA-N
MW349.43 g/mol
LogP3.68
Rot. Bonds4

About N-[2-(7-hydroxy-1-methyl-3,4-dihydro-2H-naphthalen-1-yl)ethyl]-3H-benzimidazole-5-carboxamide

N-[2-(7-hydroxy-1-methyl-3,4-dihydro-2H-naphthalen-1-yl)ethyl]-3H-benzimidazole-5-carboxamide (PubChem CID 71011959) has the molecular formula C21H23N3O2 and a molecular weight of 349.43 g/mol. Its IUPAC name is N-[2-(7-hydroxy-1-methyl-3,4-dihydro-2H-naphthalen-1-yl)ethyl]-3H-benzimidazole-5-carboxamide.

Molecular Properties

Compound NameN-[2-(7-hydroxy-1-methyl-3,4-dihydro-2H-naphthalen-1-yl)ethyl]-3H-benzimidazole-5-carboxamide
PubChem CID71011959
Molecular FormulaC21H23N3O2
Molecular Weight349.43 g/mol
Exact Mass349.18
IUPAC NameN-[2-(7-hydroxy-1-methyl-3,4-dihydro-2H-naphthalen-1-yl)ethyl]-3H-benzimidazole-5-carboxamide
SMILESCC1(CCNC(=O)c2ccc3nc[nH]c3c2)CCCc2ccc(O)cc21
InChIInChI=1S/C21H23N3O2/c1-21(8-2-3-14-4-6-16(25)12-17(14)21)9-10-22-20(26)15-5-7-18-19(11-15)24-13-23-18/h4-7,11-13,25H,2-3,8-10H2,1H3,(H,22,26)(H,23,24)
InChIKeyUMDOFAKWPDZADJ-UHFFFAOYSA-N
XLogP3.68
TPSA78.01 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.43
LogP ≤ 53.68
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[2-(7-hydroxy-1-methyl-3,4-dihydro-2H-naphthalen-1-yl)ethyl]-3H-benzimidazole-5-carboxamide?
The IUPAC name of N-[2-(7-hydroxy-1-methyl-3,4-dihydro-2H-naphthalen-1-yl)ethyl]-3H-benzimidazole-5-carboxamide (CID 71011959) is N-[2-(7-hydroxy-1-methyl-3,4-dihydro-2H-naphthalen-1-yl)ethyl]-3H-benzimidazole-5-carboxamide.
What is the SMILES notation for N-[2-(7-hydroxy-1-methyl-3,4-dihydro-2H-naphthalen-1-yl)ethyl]-3H-benzimidazole-5-carboxamide?
The canonical SMILES for N-[2-(7-hydroxy-1-methyl-3,4-dihydro-2H-naphthalen-1-yl)ethyl]-3H-benzimidazole-5-carboxamide is CC1(CCNC(=O)c2ccc3nc[nH]c3c2)CCCc2ccc(O)cc21.
What is the InChIKey of N-[2-(7-hydroxy-1-methyl-3,4-dihydro-2H-naphthalen-1-yl)ethyl]-3H-benzimidazole-5-carboxamide?
The InChIKey is UMDOFAKWPDZADJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N3O2/c1-21(8-2-3-14-4-6-16(25)12-17(14)21)9-10-22-20(26)15-5-7-18-19(11-15)24-13-23-18/h4-7,11-13,25H,2-3,8-10H2,1H3,(H,22,26)(H,23,24).
What are the key properties of N-[2-(7-hydroxy-1-methyl-3,4-dihydro-2H-naphthalen-1-yl)ethyl]-3H-benzimidazole-5-carboxamide?
N-[2-(7-hydroxy-1-methyl-3,4-dihydro-2H-naphthalen-1-yl)ethyl]-3H-benzimidazole-5-carboxamide has a molecular weight of 349.43 g/mol, XLogP of 3.68, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(7-hydroxy-1-methyl-3,4-dihydro-2H-naphthalen-1-yl)ethyl]-3H-benzimidazole-5-carboxamide is sourced from PubChem (CID 71011959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).