5-tert-butyl-1-phenylbenzimidazole;9H-carbazole

C29H27N3 — CID 158745496

IUPAC5-tert-butyl-1-phenylbenzimidazole;9H-carbazole
SMILESCC(C)(C)c1ccc2c(c1)ncn2-c1ccccc1.c1ccc2c(c1)[nH]c1ccccc12
InChIInChI=1S/C17H18N2.C12H9N/c1-17(2,3)13-9-10-16-15(11-13)18-12-19(16)14-7-5-4-6-8-14;1-3-7-11-9(5-1)10-6-2-4-8-12(10)13-11/h4-12H,1-3H3;1-8,13H
InChIKeyIMVIOZSFEYVDHH-UHFFFAOYSA-N
MW417.56 g/mol
LogP7.64
Rot. Bonds1

About 5-tert-butyl-1-phenylbenzimidazole;9H-carbazole

5-tert-butyl-1-phenylbenzimidazole;9H-carbazole (PubChem CID 158745496) has the molecular formula C29H27N3 and a molecular weight of 417.56 g/mol. Its IUPAC name is 5-tert-butyl-1-phenylbenzimidazole;9H-carbazole.

Molecular Properties

Compound Name5-tert-butyl-1-phenylbenzimidazole;9H-carbazole
PubChem CID158745496
Molecular FormulaC29H27N3
Molecular Weight417.56 g/mol
Exact Mass417.22
IUPAC Name5-tert-butyl-1-phenylbenzimidazole;9H-carbazole
SMILESCC(C)(C)c1ccc2c(c1)ncn2-c1ccccc1.c1ccc2c(c1)[nH]c1ccccc12
InChIInChI=1S/C17H18N2.C12H9N/c1-17(2,3)13-9-10-16-15(11-13)18-12-19(16)14-7-5-4-6-8-14;1-3-7-11-9(5-1)10-6-2-4-8-12(10)13-11/h4-12H,1-3H3;1-8,13H
InChIKeyIMVIOZSFEYVDHH-UHFFFAOYSA-N
XLogP7.64
TPSA33.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500417.56
LogP ≤ 57.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

5-(2-methylphenyl)-1-phenylbenzimidazole
CID 144976138
ethyl 1-phenylbenzimidazole-5-carboxylate
CID 175878732
3-(4-tert-butylphenyl)-9H-carbazole
CID 91473096
3-phenyl-6-(trifluoromethyl)imidazo[4,5-b]pyridine
CID 67191628
5-(4-tert-butyl-2-pyridinyl)-7H-indolo[2,3-b]carbazole
CID 164823619
2-[4-[5-(2-hydroxypropan-2-yl)benzimidazol-1-yl]-2-pyridinyl]benzonitrile
CID 46208258
10-[3-(benzimidazol-1-yl)phenyl]-14-(3-tert-butylphenyl)-6,18-dimethyl-10,12,14-triazapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1,3(11),4(9),5,7,12,15(20),16,18-nonaene
CID 165164253
2-[5-(5-tert-butylbenzimidazol-1-yl)-2-fluorophenyl]-3-fluorobenzonitrile
CID 67310929
N-[3-[5-(trifluoromethyl)benzimidazol-1-yl]phenyl]formamide
CID 54189949
5-(2-propoxypropan-2-yl)-1-(3-pyrrolidin-1-ylphenyl)benzimidazole
CID 11439904
7-phenyl-7,20-diazapentacyclo[11.7.0.03,11.04,8.014,19]icosa-1(13),2,4(8),5,9,11,14,16,18-nonaene
CID 90223239
6-tert-butyl-1-(3-tert-butyl-5-iodophenyl)benzimidazole
CID 155032453

Frequently Asked Questions

What is the IUPAC name of 5-tert-butyl-1-phenylbenzimidazole;9H-carbazole?
The IUPAC name of 5-tert-butyl-1-phenylbenzimidazole;9H-carbazole (CID 158745496) is 5-tert-butyl-1-phenylbenzimidazole;9H-carbazole.
What is the SMILES notation for 5-tert-butyl-1-phenylbenzimidazole;9H-carbazole?
The canonical SMILES for 5-tert-butyl-1-phenylbenzimidazole;9H-carbazole is CC(C)(C)c1ccc2c(c1)ncn2-c1ccccc1.c1ccc2c(c1)[nH]c1ccccc12.
What is the InChIKey of 5-tert-butyl-1-phenylbenzimidazole;9H-carbazole?
The InChIKey is IMVIOZSFEYVDHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2.C12H9N/c1-17(2,3)13-9-10-16-15(11-13)18-12-19(16)14-7-5-4-6-8-14;1-3-7-11-9(5-1)10-6-2-4-8-12(10)13-11/h4-12H,1-3H3;1-8,13H.
What are the key properties of 5-tert-butyl-1-phenylbenzimidazole;9H-carbazole?
5-tert-butyl-1-phenylbenzimidazole;9H-carbazole has a molecular weight of 417.56 g/mol, XLogP of 7.64, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-tert-butyl-1-phenylbenzimidazole;9H-carbazole is sourced from PubChem (CID 158745496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).