1-[3-[(9-ethylcarbazol-3-yl)methylamino]butyl]benzimidazole-5-carboxamide

C27H29N5O — CID 175924786

IUPAC1-[3-[(9-ethylcarbazol-3-yl)methylamino]butyl]benzimidazole-5-carboxamide
SMILESCCn1c2ccccc2c2cc(CNC(C)CCn3cnc4cc(C(N)=O)ccc43)ccc21
InChIInChI=1S/C27H29N5O/c1-3-32-24-7-5-4-6-21(24)22-14-19(8-10-25(22)32)16-29-18(2)12-13-31-17-30-23-15-20(27(28)33)9-11-26(23)31/h4-11,14-15,17-18,29H,3,12-13,16H2,1-2H3,(H2,28,33)
InChIKeyZZYBHWUAIRIDBT-UHFFFAOYSA-N
MW439.56 g/mol
LogP4.83
Rot. Bonds8

About 1-[3-[(9-ethylcarbazol-3-yl)methylamino]butyl]benzimidazole-5-carboxamide

1-[3-[(9-ethylcarbazol-3-yl)methylamino]butyl]benzimidazole-5-carboxamide (PubChem CID 175924786) 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-5-carboxamide.

Molecular Properties

Compound Name1-[3-[(9-ethylcarbazol-3-yl)methylamino]butyl]benzimidazole-5-carboxamide
PubChem CID175924786
Molecular FormulaC27H29N5O
Molecular Weight439.56 g/mol
Exact Mass439.24
IUPAC Name1-[3-[(9-ethylcarbazol-3-yl)methylamino]butyl]benzimidazole-5-carboxamide
SMILESCCn1c2ccccc2c2cc(CNC(C)CCn3cnc4cc(C(N)=O)ccc43)ccc21
InChIInChI=1S/C27H29N5O/c1-3-32-24-7-5-4-6-21(24)22-14-19(8-10-25(22)32)16-29-18(2)12-13-31-17-30-23-15-20(27(28)33)9-11-26(23)31/h4-11,14-15,17-18,29H,3,12-13,16H2,1-2H3,(H2,28,33)
InChIKeyZZYBHWUAIRIDBT-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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Related Compounds

1-[3-[(9-ethylcarbazol-3-yl)methylamino]butyl]benzimidazole-2-carboxamide
CID 175924781
4-[(9-ethylcarbazol-3-yl)methylamino]-3-methylbenzamide
CID 154794555
2-[(9-ethylcarbazol-3-yl)methylamino]-3-methylbutanoic acid
CID 66527507
(2S)-2-[(9-ethylcarbazol-3-yl)methylamino]-3-methylbutanoic acid
CID 99124071
N-[(9-ethylcarbazol-3-yl)methyl]propan-2-amine;hydrochloride
CID 17156280
N-[(9-ethylcarbazol-3-yl)methyl]-2-methylpropanamide
CID 70245099
(1S)-N-[(9-ethylcarbazol-3-yl)methyl]-1-pyridin-2-ylethanamine
CID 32664036
N-[(9-ethylcarbazol-3-yl)methyl]-1-naphthalen-1-ylethanamine
CID 21087531
(2S)-2-[(9-ethylcarbazol-3-yl)methylamino]butan-1-ol
CID 7425045
N-[(9-ethylcarbazol-3-yl)methyl]prop-2-enamide
CID 70174564
3-[[1-(1-ethylbenzimidazol-2-yl)ethylamino]methyl]benzamide
CID 119112037
N-[(9-ethylcarbazol-3-yl)methyl]-3-purin-9-ylpropan-1-amine
CID 175455395

Frequently Asked Questions

What is the IUPAC name of 1-[3-[(9-ethylcarbazol-3-yl)methylamino]butyl]benzimidazole-5-carboxamide?
The IUPAC name of 1-[3-[(9-ethylcarbazol-3-yl)methylamino]butyl]benzimidazole-5-carboxamide (CID 175924786) is 1-[3-[(9-ethylcarbazol-3-yl)methylamino]butyl]benzimidazole-5-carboxamide.
What is the SMILES notation for 1-[3-[(9-ethylcarbazol-3-yl)methylamino]butyl]benzimidazole-5-carboxamide?
The canonical SMILES for 1-[3-[(9-ethylcarbazol-3-yl)methylamino]butyl]benzimidazole-5-carboxamide is CCn1c2ccccc2c2cc(CNC(C)CCn3cnc4cc(C(N)=O)ccc43)ccc21.
What is the InChIKey of 1-[3-[(9-ethylcarbazol-3-yl)methylamino]butyl]benzimidazole-5-carboxamide?
The InChIKey is ZZYBHWUAIRIDBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H29N5O/c1-3-32-24-7-5-4-6-21(24)22-14-19(8-10-25(22)32)16-29-18(2)12-13-31-17-30-23-15-20(27(28)33)9-11-26(23)31/h4-11,14-15,17-18,29H,3,12-13,16H2,1-2H3,(H2,28,33).
What are the key properties of 1-[3-[(9-ethylcarbazol-3-yl)methylamino]butyl]benzimidazole-5-carboxamide?
1-[3-[(9-ethylcarbazol-3-yl)methylamino]butyl]benzimidazole-5-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-5-carboxamide is sourced from PubChem (CID 175924786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).