N-[2-(1,2,3,4-tetrahydronaphthalen-1-ylamino)-1H-benzimidazol-4-yl]acetamide

C19H20N4O — CID 71657009

IUPACN-[2-(1,2,3,4-tetrahydronaphthalen-1-ylamino)-1H-benzimidazol-4-yl]acetamide
SMILESCC(=O)Nc1cccc2[nH]c(NC3CCCc4ccccc43)nc12
InChIInChI=1S/C19H20N4O/c1-12(24)20-16-10-5-11-17-18(16)23-19(22-17)21-15-9-4-7-13-6-2-3-8-14(13)15/h2-3,5-6,8,10-11,15H,4,7,9H2,1H3,(H,20,24)(H2,21,22,23)
InChIKeyQTBGLXMGULGFRU-UHFFFAOYSA-N
MW320.40 g/mol
LogP4.01
Rot. Bonds3

About N-[2-(1,2,3,4-tetrahydronaphthalen-1-ylamino)-1H-benzimidazol-4-yl]acetamide

N-[2-(1,2,3,4-tetrahydronaphthalen-1-ylamino)-1H-benzimidazol-4-yl]acetamide (PubChem CID 71657009) has the molecular formula C19H20N4O and a molecular weight of 320.40 g/mol. Its IUPAC name is N-[2-(1,2,3,4-tetrahydronaphthalen-1-ylamino)-1H-benzimidazol-4-yl]acetamide.

Molecular Properties

Compound NameN-[2-(1,2,3,4-tetrahydronaphthalen-1-ylamino)-1H-benzimidazol-4-yl]acetamide
PubChem CID71657009
Molecular FormulaC19H20N4O
Molecular Weight320.40 g/mol
Exact Mass320.16
IUPAC NameN-[2-(1,2,3,4-tetrahydronaphthalen-1-ylamino)-1H-benzimidazol-4-yl]acetamide
SMILESCC(=O)Nc1cccc2[nH]c(NC3CCCc4ccccc43)nc12
InChIInChI=1S/C19H20N4O/c1-12(24)20-16-10-5-11-17-18(16)23-19(22-17)21-15-9-4-7-13-6-2-3-8-14(13)15/h2-3,5-6,8,10-11,15H,4,7,9H2,1H3,(H,20,24)(H2,21,22,23)
InChIKeyQTBGLXMGULGFRU-UHFFFAOYSA-N
XLogP4.01
TPSA69.81 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.40
LogP ≤ 54.01
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-acetamido-2-methylphenyl)-1,2,3,4-tetrahydronaphthalene-1-carboxamide
CID 134063134
N-[4-fluoro-2-nitro-5-(1,2,3,4-tetrahydronaphthalen-1-ylamino)phenyl]acetamide
CID 43056658
1-[3-(dimethylamino)-2-methylphenyl]-3-(1,2,3,4-tetrahydronaphthalen-1-yl)urea
CID 126777919
N-(2,6-dichlorophenyl)-1,2,3,4-tetrahydronaphthalen-1-amine
CID 65470081
1-(2-chlorophenyl)-3-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]urea
CID 841694
N-[3-[[4-[[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]quinazolin-2-yl]amino]phenyl]acetamide
CID 175678392
4-acetamido-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]benzamide
CID 7688434
4-(1H-benzimidazol-2-ylamino)-N-(2,3-dihydro-1H-inden-1-yl)cyclohexane-1-carboxamide
CID 70014718
6-methyl-2-(1,2,3,4-tetrahydronaphthalen-1-ylamino)pyrimidine-4-carboxylic acid
CID 107553354
N-(1,2,3,4-tetrahydronaphthalen-1-yl)-1H-indole-2-carboxamide;hydrochloride
CID 141145124
2-N-(1,2,3,4-tetrahydronaphthalen-1-yl)benzene-1,2-diamine
CID 62305429
N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]cyclopropanecarboxamide
CID 7688429

Frequently Asked Questions

What is the IUPAC name of N-[2-(1,2,3,4-tetrahydronaphthalen-1-ylamino)-1H-benzimidazol-4-yl]acetamide?
The IUPAC name of N-[2-(1,2,3,4-tetrahydronaphthalen-1-ylamino)-1H-benzimidazol-4-yl]acetamide (CID 71657009) is N-[2-(1,2,3,4-tetrahydronaphthalen-1-ylamino)-1H-benzimidazol-4-yl]acetamide.
What is the SMILES notation for N-[2-(1,2,3,4-tetrahydronaphthalen-1-ylamino)-1H-benzimidazol-4-yl]acetamide?
The canonical SMILES for N-[2-(1,2,3,4-tetrahydronaphthalen-1-ylamino)-1H-benzimidazol-4-yl]acetamide is CC(=O)Nc1cccc2[nH]c(NC3CCCc4ccccc43)nc12.
What is the InChIKey of N-[2-(1,2,3,4-tetrahydronaphthalen-1-ylamino)-1H-benzimidazol-4-yl]acetamide?
The InChIKey is QTBGLXMGULGFRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N4O/c1-12(24)20-16-10-5-11-17-18(16)23-19(22-17)21-15-9-4-7-13-6-2-3-8-14(13)15/h2-3,5-6,8,10-11,15H,4,7,9H2,1H3,(H,20,24)(H2,21,22,23).
What are the key properties of N-[2-(1,2,3,4-tetrahydronaphthalen-1-ylamino)-1H-benzimidazol-4-yl]acetamide?
N-[2-(1,2,3,4-tetrahydronaphthalen-1-ylamino)-1H-benzimidazol-4-yl]acetamide has a molecular weight of 320.40 g/mol, XLogP of 4.01, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1,2,3,4-tetrahydronaphthalen-1-ylamino)-1H-benzimidazol-4-yl]acetamide is sourced from PubChem (CID 71657009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).