1-[3-[(9-ethylcarbazol-3-yl)methylamino]butyl]benzimidazole-2-carboxamide

C27H29N5O — CID 175924781

IUPAC1-[3-[(9-ethylcarbazol-3-yl)methylamino]butyl]benzimidazole-2-carboxamide
SMILESCCn1c2ccccc2c2cc(CNC(C)CCn3c(C(N)=O)nc4ccccc43)ccc21
InChIInChI=1S/C27H29N5O/c1-3-31-23-10-6-4-8-20(23)21-16-19(12-13-24(21)31)17-29-18(2)14-15-32-25-11-7-5-9-22(25)30-27(32)26(28)33/h4-13,16,18,29H,3,14-15,17H2,1-2H3,(H2,28,33)
InChIKeyYFOPVLMRSDGZTD-UHFFFAOYSA-N
MW439.56 g/mol
LogP4.83
Rot. Bonds8

About 1-[3-[(9-ethylcarbazol-3-yl)methylamino]butyl]benzimidazole-2-carboxamide

1-[3-[(9-ethylcarbazol-3-yl)methylamino]butyl]benzimidazole-2-carboxamide (PubChem CID 175924781) has the molecular formula C27H29N5O and a molecular weight of 439.56 g/mol. Its IUPAC name is 1-[3-[(9-ethylcarbazol-3-yl)methylamino]butyl]benzimidazole-2-carboxamide.

Molecular Properties

Compound Name1-[3-[(9-ethylcarbazol-3-yl)methylamino]butyl]benzimidazole-2-carboxamide
PubChem CID175924781
Molecular FormulaC27H29N5O
Molecular Weight439.56 g/mol
Exact Mass439.24
IUPAC Name1-[3-[(9-ethylcarbazol-3-yl)methylamino]butyl]benzimidazole-2-carboxamide
SMILESCCn1c2ccccc2c2cc(CNC(C)CCn3c(C(N)=O)nc4ccccc43)ccc21
InChIInChI=1S/C27H29N5O/c1-3-31-23-10-6-4-8-20(23)21-16-19(12-13-24(21)31)17-29-18(2)14-15-32-25-11-7-5-9-22(25)30-27(32)26(28)33/h4-13,16,18,29H,3,14-15,17H2,1-2H3,(H2,28,33)
InChIKeyYFOPVLMRSDGZTD-UHFFFAOYSA-N
XLogP4.83
TPSA77.87 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.56
LogP ≤ 54.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[3-[(9-ethylcarbazol-3-yl)methylamino]butyl]benzimidazole-2-carboxamide?
The IUPAC name of 1-[3-[(9-ethylcarbazol-3-yl)methylamino]butyl]benzimidazole-2-carboxamide (CID 175924781) is 1-[3-[(9-ethylcarbazol-3-yl)methylamino]butyl]benzimidazole-2-carboxamide.
What is the SMILES notation for 1-[3-[(9-ethylcarbazol-3-yl)methylamino]butyl]benzimidazole-2-carboxamide?
The canonical SMILES for 1-[3-[(9-ethylcarbazol-3-yl)methylamino]butyl]benzimidazole-2-carboxamide is CCn1c2ccccc2c2cc(CNC(C)CCn3c(C(N)=O)nc4ccccc43)ccc21.
What is the InChIKey of 1-[3-[(9-ethylcarbazol-3-yl)methylamino]butyl]benzimidazole-2-carboxamide?
The InChIKey is YFOPVLMRSDGZTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H29N5O/c1-3-31-23-10-6-4-8-20(23)21-16-19(12-13-24(21)31)17-29-18(2)14-15-32-25-11-7-5-9-22(25)30-27(32)26(28)33/h4-13,16,18,29H,3,14-15,17H2,1-2H3,(H2,28,33).
What are the key properties of 1-[3-[(9-ethylcarbazol-3-yl)methylamino]butyl]benzimidazole-2-carboxamide?
1-[3-[(9-ethylcarbazol-3-yl)methylamino]butyl]benzimidazole-2-carboxamide has a molecular weight of 439.56 g/mol, XLogP of 4.83, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[(9-ethylcarbazol-3-yl)methylamino]butyl]benzimidazole-2-carboxamide is sourced from PubChem (CID 175924781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).