4-[[3-(2H-tetrazol-5-yl)carbazol-9-yl]methyl]benzamide

C21H16N6O — CID 91473451

IUPAC4-[[3-(2H-tetrazol-5-yl)carbazol-9-yl]methyl]benzamide
SMILESNC(=O)c1ccc(Cn2c3ccccc3c3cc(-c4nn[nH]n4)ccc32)cc1
InChIInChI=1S/C21H16N6O/c22-20(28)14-7-5-13(6-8-14)12-27-18-4-2-1-3-16(18)17-11-15(9-10-19(17)27)21-23-25-26-24-21/h1-11H,12H2,(H2,22,28)(H,23,24,25,26)
InChIKeySMQYFAPPCPOJNX-UHFFFAOYSA-N
MW368.40 g/mol
LogP3.12
Rot. Bonds4

About 4-[[3-(2H-tetrazol-5-yl)carbazol-9-yl]methyl]benzamide

4-[[3-(2H-tetrazol-5-yl)carbazol-9-yl]methyl]benzamide (PubChem CID 91473451) has the molecular formula C21H16N6O and a molecular weight of 368.40 g/mol. Its IUPAC name is 4-[[3-(2H-tetrazol-5-yl)carbazol-9-yl]methyl]benzamide.

Molecular Properties

Compound Name4-[[3-(2H-tetrazol-5-yl)carbazol-9-yl]methyl]benzamide
PubChem CID91473451
Molecular FormulaC21H16N6O
Molecular Weight368.40 g/mol
Exact Mass368.14
IUPAC Name4-[[3-(2H-tetrazol-5-yl)carbazol-9-yl]methyl]benzamide
SMILESNC(=O)c1ccc(Cn2c3ccccc3c3cc(-c4nn[nH]n4)ccc32)cc1
InChIInChI=1S/C21H16N6O/c22-20(28)14-7-5-13(6-8-14)12-27-18-4-2-1-3-16(18)17-11-15(9-10-19(17)27)21-23-25-26-24-21/h1-11H,12H2,(H2,22,28)(H,23,24,25,26)
InChIKeySMQYFAPPCPOJNX-UHFFFAOYSA-N
XLogP3.12
TPSA102.48 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.40
LogP ≤ 53.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

9-[(4-fluorophenyl)methyl]-3-(2H-tetrazol-5-yl)carbazole
CID 57457088
9-[(4-bromophenyl)methyl]-3-(2H-tetrazol-5-yl)carbazole
CID 57457084
4-[[3-(2H-tetrazol-5-yl)carbazol-9-yl]methyl]benzonitrile
CID 57457097
9-[(3-nitrophenyl)methyl]-3-(2H-tetrazol-5-yl)carbazole
CID 57457101
2-[3-(2H-tetrazol-5-yl)carbazol-9-yl]hexanamide
CID 91182343
dimethyl (2S)-2-[[2-ethyl-5-methyl-6-[3-(2H-tetrazol-5-yl)carbazol-9-yl]hexanoyl]amino]butanedioate
CID 143165775
N'-amino-9-[(4-methylphenyl)methyl]carbazole-3-carboximidamide
CID 143271307
4-hydroxy-3-phenyl-1-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]quinolin-2-one
CID 54726671
4-(3,4-dihydrocarbazol-9-ylmethyl)benzamide
CID 123774069
7-methyl-2-propyl-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]benzimidazole-5-carboxamide
CID 68722341
1-[[4-(difluoromethoxy)phenyl]methyl]-3-N-[[4-(2H-tetrazol-5-yl)phenyl]methyl]indazole-3,6-dicarboxamide
CID 50902279
(2S)-N-[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-amino-5-(diaminomethylideneamino)-1-oxopentan-2-yl]amino]-5-(diaminomethylideneamino)-1-oxopentan-2-yl]amino]-5-(diaminomethylideneamino)-1-oxopentan-2-yl]amino]-5-(diaminomethylideneamino)-1-oxopentan-2-yl]amino]-5-(diaminomethylideneamino)-1-oxopentan-2-yl]-5-(diaminomethylideneamino)-2-methylpentanamide;N-[(2S)-5-(diaminomethylideneamino)-1-[[(2S)-5-(diaminomethylideneamino)-1-[[(2S)-5-(diaminomethylideneamino)-1-[[(2S)-5-(diaminomethylideneamino)-1-(methylamino)-1-oxopentan-2-yl]amino]-1-oxopentan-2-yl]amino]-1-oxopentan-2-yl]amino]-1-oxopentan-2-yl]-3-[[3-(2H-tetrazol-5-yl)carbazol-9-yl]methyl]benzamide;(2S)-5-(diaminomethylideneamino)-2-[5-(diaminomethylideneamino)pentanoylamino]-N-methylpentanamide
CID 161109236

Frequently Asked Questions

What is the IUPAC name of 4-[[3-(2H-tetrazol-5-yl)carbazol-9-yl]methyl]benzamide?
The IUPAC name of 4-[[3-(2H-tetrazol-5-yl)carbazol-9-yl]methyl]benzamide (CID 91473451) is 4-[[3-(2H-tetrazol-5-yl)carbazol-9-yl]methyl]benzamide.
What is the SMILES notation for 4-[[3-(2H-tetrazol-5-yl)carbazol-9-yl]methyl]benzamide?
The canonical SMILES for 4-[[3-(2H-tetrazol-5-yl)carbazol-9-yl]methyl]benzamide is NC(=O)c1ccc(Cn2c3ccccc3c3cc(-c4nn[nH]n4)ccc32)cc1.
What is the InChIKey of 4-[[3-(2H-tetrazol-5-yl)carbazol-9-yl]methyl]benzamide?
The InChIKey is SMQYFAPPCPOJNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16N6O/c22-20(28)14-7-5-13(6-8-14)12-27-18-4-2-1-3-16(18)17-11-15(9-10-19(17)27)21-23-25-26-24-21/h1-11H,12H2,(H2,22,28)(H,23,24,25,26).
What are the key properties of 4-[[3-(2H-tetrazol-5-yl)carbazol-9-yl]methyl]benzamide?
4-[[3-(2H-tetrazol-5-yl)carbazol-9-yl]methyl]benzamide has a molecular weight of 368.40 g/mol, XLogP of 3.12, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[3-(2H-tetrazol-5-yl)carbazol-9-yl]methyl]benzamide is sourced from PubChem (CID 91473451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).