N-[(9-ethylcarbazol-3-yl)methyl]-1-methylbenzimidazol-2-amine

C23H22N4 — CID 163902400

IUPACN-[(9-ethylcarbazol-3-yl)methyl]-1-methylbenzimidazol-2-amine
SMILESCCn1c2ccccc2c2cc(CNc3nc4ccccc4n3C)ccc21
InChIInChI=1S/C23H22N4/c1-3-27-20-10-6-4-8-17(20)18-14-16(12-13-21(18)27)15-24-23-25-19-9-5-7-11-22(19)26(23)2/h4-14H,3,15H2,1-2H3,(H,24,25)
InChIKeyQKZNLVHPKAXDOL-UHFFFAOYSA-N
MW354.46 g/mol
LogP5.31
Rot. Bonds4

About N-[(9-ethylcarbazol-3-yl)methyl]-1-methylbenzimidazol-2-amine

N-[(9-ethylcarbazol-3-yl)methyl]-1-methylbenzimidazol-2-amine (PubChem CID 163902400) has the molecular formula C23H22N4 and a molecular weight of 354.46 g/mol. Its IUPAC name is N-[(9-ethylcarbazol-3-yl)methyl]-1-methylbenzimidazol-2-amine.

Molecular Properties

Compound NameN-[(9-ethylcarbazol-3-yl)methyl]-1-methylbenzimidazol-2-amine
PubChem CID163902400
Molecular FormulaC23H22N4
Molecular Weight354.46 g/mol
Exact Mass354.18
IUPAC NameN-[(9-ethylcarbazol-3-yl)methyl]-1-methylbenzimidazol-2-amine
SMILESCCn1c2ccccc2c2cc(CNc3nc4ccccc4n3C)ccc21
InChIInChI=1S/C23H22N4/c1-3-27-20-10-6-4-8-17(20)18-14-16(12-13-21(18)27)15-24-23-25-19-9-5-7-11-22(19)26(23)2/h4-14H,3,15H2,1-2H3,(H,24,25)
InChIKeyQKZNLVHPKAXDOL-UHFFFAOYSA-N
XLogP5.31
TPSA34.78 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500354.46
LogP ≤ 55.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(9-ethylcarbazol-3-yl)methyl]-1-methylbenzimidazol-2-amine?
The IUPAC name of N-[(9-ethylcarbazol-3-yl)methyl]-1-methylbenzimidazol-2-amine (CID 163902400) is N-[(9-ethylcarbazol-3-yl)methyl]-1-methylbenzimidazol-2-amine.
What is the SMILES notation for N-[(9-ethylcarbazol-3-yl)methyl]-1-methylbenzimidazol-2-amine?
The canonical SMILES for N-[(9-ethylcarbazol-3-yl)methyl]-1-methylbenzimidazol-2-amine is CCn1c2ccccc2c2cc(CNc3nc4ccccc4n3C)ccc21.
What is the InChIKey of N-[(9-ethylcarbazol-3-yl)methyl]-1-methylbenzimidazol-2-amine?
The InChIKey is QKZNLVHPKAXDOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22N4/c1-3-27-20-10-6-4-8-17(20)18-14-16(12-13-21(18)27)15-24-23-25-19-9-5-7-11-22(19)26(23)2/h4-14H,3,15H2,1-2H3,(H,24,25).
What are the key properties of N-[(9-ethylcarbazol-3-yl)methyl]-1-methylbenzimidazol-2-amine?
N-[(9-ethylcarbazol-3-yl)methyl]-1-methylbenzimidazol-2-amine has a molecular weight of 354.46 g/mol, XLogP of 5.31, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(9-ethylcarbazol-3-yl)methyl]-1-methylbenzimidazol-2-amine is sourced from PubChem (CID 163902400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).