N-[[6-(3,5-dimethyl-1,2-oxazol-4-yl)-9-ethylcarbazol-3-yl]methyl]-1H-benzimidazol-2-amine

C27H25N5O — CID 166172583

IUPACN-[[6-(3,5-dimethyl-1,2-oxazol-4-yl)-9-ethylcarbazol-3-yl]methyl]-1H-benzimidazol-2-amine
SMILESCCn1c2ccc(CNc3nc4ccccc4[nH]3)cc2c2cc(-c3c(C)noc3C)ccc21
InChIInChI=1S/C27H25N5O/c1-4-32-24-11-9-18(15-28-27-29-22-7-5-6-8-23(22)30-27)13-20(24)21-14-19(10-12-25(21)32)26-16(2)31-33-17(26)3/h5-14H,4,15H2,1-3H3,(H2,28,29,30)
InChIKeyDSJKBLSJBAQXCG-UHFFFAOYSA-N
MW435.53 g/mol
LogP6.57
Rot. Bonds5

About N-[[6-(3,5-dimethyl-1,2-oxazol-4-yl)-9-ethylcarbazol-3-yl]methyl]-1H-benzimidazol-2-amine

N-[[6-(3,5-dimethyl-1,2-oxazol-4-yl)-9-ethylcarbazol-3-yl]methyl]-1H-benzimidazol-2-amine (PubChem CID 166172583) has the molecular formula C27H25N5O and a molecular weight of 435.53 g/mol. Its IUPAC name is N-[[6-(3,5-dimethyl-1,2-oxazol-4-yl)-9-ethylcarbazol-3-yl]methyl]-1H-benzimidazol-2-amine.

Molecular Properties

Compound NameN-[[6-(3,5-dimethyl-1,2-oxazol-4-yl)-9-ethylcarbazol-3-yl]methyl]-1H-benzimidazol-2-amine
PubChem CID166172583
Molecular FormulaC27H25N5O
Molecular Weight435.53 g/mol
Exact Mass435.21
IUPAC NameN-[[6-(3,5-dimethyl-1,2-oxazol-4-yl)-9-ethylcarbazol-3-yl]methyl]-1H-benzimidazol-2-amine
SMILESCCn1c2ccc(CNc3nc4ccccc4[nH]3)cc2c2cc(-c3c(C)noc3C)ccc21
InChIInChI=1S/C27H25N5O/c1-4-32-24-11-9-18(15-28-27-29-22-7-5-6-8-23(22)30-27)13-20(24)21-14-19(10-12-25(21)32)26-16(2)31-33-17(26)3/h5-14H,4,15H2,1-3H3,(H2,28,29,30)
InChIKeyDSJKBLSJBAQXCG-UHFFFAOYSA-N
XLogP6.57
TPSA71.67 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500435.53
LogP ≤ 56.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[[6-(3,5-dimethyl-1,2-oxazol-4-yl)-9-ethylcarbazol-3-yl]methyl]-1H-benzimidazol-2-amine?
The IUPAC name of N-[[6-(3,5-dimethyl-1,2-oxazol-4-yl)-9-ethylcarbazol-3-yl]methyl]-1H-benzimidazol-2-amine (CID 166172583) is N-[[6-(3,5-dimethyl-1,2-oxazol-4-yl)-9-ethylcarbazol-3-yl]methyl]-1H-benzimidazol-2-amine.
What is the SMILES notation for N-[[6-(3,5-dimethyl-1,2-oxazol-4-yl)-9-ethylcarbazol-3-yl]methyl]-1H-benzimidazol-2-amine?
The canonical SMILES for N-[[6-(3,5-dimethyl-1,2-oxazol-4-yl)-9-ethylcarbazol-3-yl]methyl]-1H-benzimidazol-2-amine is CCn1c2ccc(CNc3nc4ccccc4[nH]3)cc2c2cc(-c3c(C)noc3C)ccc21.
What is the InChIKey of N-[[6-(3,5-dimethyl-1,2-oxazol-4-yl)-9-ethylcarbazol-3-yl]methyl]-1H-benzimidazol-2-amine?
The InChIKey is DSJKBLSJBAQXCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H25N5O/c1-4-32-24-11-9-18(15-28-27-29-22-7-5-6-8-23(22)30-27)13-20(24)21-14-19(10-12-25(21)32)26-16(2)31-33-17(26)3/h5-14H,4,15H2,1-3H3,(H2,28,29,30).
What are the key properties of N-[[6-(3,5-dimethyl-1,2-oxazol-4-yl)-9-ethylcarbazol-3-yl]methyl]-1H-benzimidazol-2-amine?
N-[[6-(3,5-dimethyl-1,2-oxazol-4-yl)-9-ethylcarbazol-3-yl]methyl]-1H-benzimidazol-2-amine has a molecular weight of 435.53 g/mol, XLogP of 6.57, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[6-(3,5-dimethyl-1,2-oxazol-4-yl)-9-ethylcarbazol-3-yl]methyl]-1H-benzimidazol-2-amine is sourced from PubChem (CID 166172583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).