1-[5-bromo-4-chloro-1-(cyclopropylmethyl)benzimidazol-2-yl]-9-ethylcarbazole

C25H21BrClN3 — CID 90202402

IUPAC1-[5-bromo-4-chloro-1-(cyclopropylmethyl)benzimidazol-2-yl]-9-ethylcarbazole
SMILESCCn1c2ccccc2c2cccc(-c3nc4c(Cl)c(Br)ccc4n3CC3CC3)c21
InChIInChI=1S/C25H21BrClN3/c1-2-29-20-9-4-3-6-16(20)17-7-5-8-18(24(17)29)25-28-23-21(13-12-19(26)22(23)27)30(25)14-15-10-11-15/h3-9,12-13,15H,2,10-11,14H2,1H3
InChIKeyLHTAVODPNXOETD-UHFFFAOYSA-N
MW478.82 g/mol
LogP7.66
Rot. Bonds4

About 1-[5-bromo-4-chloro-1-(cyclopropylmethyl)benzimidazol-2-yl]-9-ethylcarbazole

1-[5-bromo-4-chloro-1-(cyclopropylmethyl)benzimidazol-2-yl]-9-ethylcarbazole (PubChem CID 90202402) has the molecular formula C25H21BrClN3 and a molecular weight of 478.82 g/mol. Its IUPAC name is 1-[5-bromo-4-chloro-1-(cyclopropylmethyl)benzimidazol-2-yl]-9-ethylcarbazole.

Molecular Properties

Compound Name1-[5-bromo-4-chloro-1-(cyclopropylmethyl)benzimidazol-2-yl]-9-ethylcarbazole
PubChem CID90202402
Molecular FormulaC25H21BrClN3
Molecular Weight478.82 g/mol
Exact Mass477.06
IUPAC Name1-[5-bromo-4-chloro-1-(cyclopropylmethyl)benzimidazol-2-yl]-9-ethylcarbazole
SMILESCCn1c2ccccc2c2cccc(-c3nc4c(Cl)c(Br)ccc4n3CC3CC3)c21
InChIInChI=1S/C25H21BrClN3/c1-2-29-20-9-4-3-6-16(20)17-7-5-8-18(24(17)29)25-28-23-21(13-12-19(26)22(23)27)30(25)14-15-10-11-15/h3-9,12-13,15H,2,10-11,14H2,1H3
InChIKeyLHTAVODPNXOETD-UHFFFAOYSA-N
XLogP7.66
TPSA22.75 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500478.82
LogP ≤ 57.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

[4-chloro-1-(cyclopropylmethyl)-2-(9-ethylcarbazol-3-yl)benzimidazol-5-yl] hydrogen carbonate
CID 90202703
1-bromo-9-ethylcarbazole
CID 19736997
9-ethyl-1-pyrimidin-2-ylcarbazole
CID 91102631
6-bromo-9-ethyl-1-phenylcarbazole
CID 174702524
1-(cyclopropylmethyl)-2-(9-ethylcarbazol-3-yl)-6-methoxybenzimidazole-5-carboxylic acid
CID 90202380
9-(cyclobutylmethyl)carbazole
CID 130274210
6-(cyclopropylmethyl)-2-methylbenzo[h][1,6]naphthyridin-5-one
CID 176916120
4,27-diethyl-4,27-diazaheptacyclo[15.11.0.02,14.03,11.05,10.020,28.021,26]octacosa-1(17),2(14),3(11),5,7,9,12,15,18,20(28),21,23,25-tridecaene
CID 177442338
1-(cyclopropylmethyl)-2-(9-ethylpyrido[2,3-b]indol-3-yl)-4,6-dimethylbenzimidazole-5-carboxylic acid
CID 90202362
9-(cyclopropylmethyl)carbazole-3-carbonitrile
CID 117368332
1-bromo-9-propylcarbazole
CID 141387102
4-chloro-1-[(4-methylcyclohexyl)methyl]benzimidazol-2-amine
CID 104837112

Frequently Asked Questions

What is the IUPAC name of 1-[5-bromo-4-chloro-1-(cyclopropylmethyl)benzimidazol-2-yl]-9-ethylcarbazole?
The IUPAC name of 1-[5-bromo-4-chloro-1-(cyclopropylmethyl)benzimidazol-2-yl]-9-ethylcarbazole (CID 90202402) is 1-[5-bromo-4-chloro-1-(cyclopropylmethyl)benzimidazol-2-yl]-9-ethylcarbazole.
What is the SMILES notation for 1-[5-bromo-4-chloro-1-(cyclopropylmethyl)benzimidazol-2-yl]-9-ethylcarbazole?
The canonical SMILES for 1-[5-bromo-4-chloro-1-(cyclopropylmethyl)benzimidazol-2-yl]-9-ethylcarbazole is CCn1c2ccccc2c2cccc(-c3nc4c(Cl)c(Br)ccc4n3CC3CC3)c21.
What is the InChIKey of 1-[5-bromo-4-chloro-1-(cyclopropylmethyl)benzimidazol-2-yl]-9-ethylcarbazole?
The InChIKey is LHTAVODPNXOETD-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H21BrClN3/c1-2-29-20-9-4-3-6-16(20)17-7-5-8-18(24(17)29)25-28-23-21(13-12-19(26)22(23)27)30(25)14-15-10-11-15/h3-9,12-13,15H,2,10-11,14H2,1H3.
What are the key properties of 1-[5-bromo-4-chloro-1-(cyclopropylmethyl)benzimidazol-2-yl]-9-ethylcarbazole?
1-[5-bromo-4-chloro-1-(cyclopropylmethyl)benzimidazol-2-yl]-9-ethylcarbazole has a molecular weight of 478.82 g/mol, XLogP of 7.66, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-bromo-4-chloro-1-(cyclopropylmethyl)benzimidazol-2-yl]-9-ethylcarbazole is sourced from PubChem (CID 90202402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).