2-(1-amino-1,2,3,4-tetrahydronaphthalen-2-yl)-1H-benzimidazole-4-carboxamide

C18H18N4O — CID 140508869

IUPAC2-(1-amino-1,2,3,4-tetrahydronaphthalen-2-yl)-1H-benzimidazole-4-carboxamide
SMILESNC(=O)c1cccc2[nH]c(C3CCc4ccccc4C3N)nc12
InChIInChI=1S/C18H18N4O/c19-15-11-5-2-1-4-10(11)8-9-12(15)18-21-14-7-3-6-13(17(20)23)16(14)22-18/h1-7,12,15H,8-9,19H2,(H2,20,23)(H,21,22)
InChIKeyXCLQZYGTPDHJIV-UHFFFAOYSA-N
MW306.37 g/mol
LogP2.39
Rot. Bonds2

About 2-(1-amino-1,2,3,4-tetrahydronaphthalen-2-yl)-1H-benzimidazole-4-carboxamide

2-(1-amino-1,2,3,4-tetrahydronaphthalen-2-yl)-1H-benzimidazole-4-carboxamide (PubChem CID 140508869) has the molecular formula C18H18N4O and a molecular weight of 306.37 g/mol. Its IUPAC name is 2-(1-amino-1,2,3,4-tetrahydronaphthalen-2-yl)-1H-benzimidazole-4-carboxamide.

Molecular Properties

Compound Name2-(1-amino-1,2,3,4-tetrahydronaphthalen-2-yl)-1H-benzimidazole-4-carboxamide
PubChem CID140508869
Molecular FormulaC18H18N4O
Molecular Weight306.37 g/mol
Exact Mass306.15
IUPAC Name2-(1-amino-1,2,3,4-tetrahydronaphthalen-2-yl)-1H-benzimidazole-4-carboxamide
SMILESNC(=O)c1cccc2[nH]c(C3CCc4ccccc4C3N)nc12
InChIInChI=1S/C18H18N4O/c19-15-11-5-2-1-4-10(11)8-9-12(15)18-21-14-7-3-6-13(17(20)23)16(14)22-18/h1-7,12,15H,8-9,19H2,(H2,20,23)(H,21,22)
InChIKeyXCLQZYGTPDHJIV-UHFFFAOYSA-N
XLogP2.39
TPSA97.79 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.37
LogP ≤ 52.39
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(1-amino-1,2,3,4-tetrahydronaphthalen-2-yl)-1H-benzimidazole-4-carboxamide?
The IUPAC name of 2-(1-amino-1,2,3,4-tetrahydronaphthalen-2-yl)-1H-benzimidazole-4-carboxamide (CID 140508869) is 2-(1-amino-1,2,3,4-tetrahydronaphthalen-2-yl)-1H-benzimidazole-4-carboxamide.
What is the SMILES notation for 2-(1-amino-1,2,3,4-tetrahydronaphthalen-2-yl)-1H-benzimidazole-4-carboxamide?
The canonical SMILES for 2-(1-amino-1,2,3,4-tetrahydronaphthalen-2-yl)-1H-benzimidazole-4-carboxamide is NC(=O)c1cccc2[nH]c(C3CCc4ccccc4C3N)nc12.
What is the InChIKey of 2-(1-amino-1,2,3,4-tetrahydronaphthalen-2-yl)-1H-benzimidazole-4-carboxamide?
The InChIKey is XCLQZYGTPDHJIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N4O/c19-15-11-5-2-1-4-10(11)8-9-12(15)18-21-14-7-3-6-13(17(20)23)16(14)22-18/h1-7,12,15H,8-9,19H2,(H2,20,23)(H,21,22).
What are the key properties of 2-(1-amino-1,2,3,4-tetrahydronaphthalen-2-yl)-1H-benzimidazole-4-carboxamide?
2-(1-amino-1,2,3,4-tetrahydronaphthalen-2-yl)-1H-benzimidazole-4-carboxamide has a molecular weight of 306.37 g/mol, XLogP of 2.39, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-amino-1,2,3,4-tetrahydronaphthalen-2-yl)-1H-benzimidazole-4-carboxamide is sourced from PubChem (CID 140508869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).