N-[2-(dimethylamino)ethyl]-N-[(5-methyl-1H-imidazol-4-yl)methyl]-2,3,4,9-tetrahydro-1H-carbazole-1-carboxamide

C22H29N5O — CID 135114091

IUPACN-[2-(dimethylamino)ethyl]-N-[(5-methyl-1H-imidazol-4-yl)methyl]-2,3,4,9-tetrahydro-1H-carbazole-1-carboxamide
SMILESCc1[nH]cnc1CN(CCN(C)C)C(=O)C1CCCc2c1[nH]c1ccccc21
InChIInChI=1S/C22H29N5O/c1-15-20(24-14-23-15)13-27(12-11-26(2)3)22(28)18-9-6-8-17-16-7-4-5-10-19(16)25-21(17)18/h4-5,7,10,14,18,25H,6,8-9,11-13H2,1-3H3,(H,23,24)
InChIKeyITHKSXKWFWRTCQ-UHFFFAOYSA-N
MW379.51 g/mol
LogP3.21
Rot. Bonds6

About N-[2-(dimethylamino)ethyl]-N-[(5-methyl-1H-imidazol-4-yl)methyl]-2,3,4,9-tetrahydro-1H-carbazole-1-carboxamide

N-[2-(dimethylamino)ethyl]-N-[(5-methyl-1H-imidazol-4-yl)methyl]-2,3,4,9-tetrahydro-1H-carbazole-1-carboxamide (PubChem CID 135114091) has the molecular formula C22H29N5O and a molecular weight of 379.51 g/mol. Its IUPAC name is N-[2-(dimethylamino)ethyl]-N-[(5-methyl-1H-imidazol-4-yl)methyl]-2,3,4,9-tetrahydro-1H-carbazole-1-carboxamide.

Molecular Properties

Compound NameN-[2-(dimethylamino)ethyl]-N-[(5-methyl-1H-imidazol-4-yl)methyl]-2,3,4,9-tetrahydro-1H-carbazole-1-carboxamide
PubChem CID135114091
Molecular FormulaC22H29N5O
Molecular Weight379.51 g/mol
Exact Mass379.24
IUPAC NameN-[2-(dimethylamino)ethyl]-N-[(5-methyl-1H-imidazol-4-yl)methyl]-2,3,4,9-tetrahydro-1H-carbazole-1-carboxamide
SMILESCc1[nH]cnc1CN(CCN(C)C)C(=O)C1CCCc2c1[nH]c1ccccc21
InChIInChI=1S/C22H29N5O/c1-15-20(24-14-23-15)13-27(12-11-26(2)3)22(28)18-9-6-8-17-16-7-4-5-10-19(16)25-21(17)18/h4-5,7,10,14,18,25H,6,8-9,11-13H2,1-3H3,(H,23,24)
InChIKeyITHKSXKWFWRTCQ-UHFFFAOYSA-N
XLogP3.21
TPSA68.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.51
LogP ≤ 53.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[2-(dimethylamino)ethyl]-N-[(5-methyl-1H-imidazol-4-yl)methyl]-2,3,4,9-tetrahydro-1H-carbazole-1-carboxamide?
The IUPAC name of N-[2-(dimethylamino)ethyl]-N-[(5-methyl-1H-imidazol-4-yl)methyl]-2,3,4,9-tetrahydro-1H-carbazole-1-carboxamide (CID 135114091) is N-[2-(dimethylamino)ethyl]-N-[(5-methyl-1H-imidazol-4-yl)methyl]-2,3,4,9-tetrahydro-1H-carbazole-1-carboxamide.
What is the SMILES notation for N-[2-(dimethylamino)ethyl]-N-[(5-methyl-1H-imidazol-4-yl)methyl]-2,3,4,9-tetrahydro-1H-carbazole-1-carboxamide?
The canonical SMILES for N-[2-(dimethylamino)ethyl]-N-[(5-methyl-1H-imidazol-4-yl)methyl]-2,3,4,9-tetrahydro-1H-carbazole-1-carboxamide is Cc1[nH]cnc1CN(CCN(C)C)C(=O)C1CCCc2c1[nH]c1ccccc21.
What is the InChIKey of N-[2-(dimethylamino)ethyl]-N-[(5-methyl-1H-imidazol-4-yl)methyl]-2,3,4,9-tetrahydro-1H-carbazole-1-carboxamide?
The InChIKey is ITHKSXKWFWRTCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29N5O/c1-15-20(24-14-23-15)13-27(12-11-26(2)3)22(28)18-9-6-8-17-16-7-4-5-10-19(16)25-21(17)18/h4-5,7,10,14,18,25H,6,8-9,11-13H2,1-3H3,(H,23,24).
What are the key properties of N-[2-(dimethylamino)ethyl]-N-[(5-methyl-1H-imidazol-4-yl)methyl]-2,3,4,9-tetrahydro-1H-carbazole-1-carboxamide?
N-[2-(dimethylamino)ethyl]-N-[(5-methyl-1H-imidazol-4-yl)methyl]-2,3,4,9-tetrahydro-1H-carbazole-1-carboxamide has a molecular weight of 379.51 g/mol, XLogP of 3.21, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(dimethylamino)ethyl]-N-[(5-methyl-1H-imidazol-4-yl)methyl]-2,3,4,9-tetrahydro-1H-carbazole-1-carboxamide is sourced from PubChem (CID 135114091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).