N-[2-(1H-indol-3-yl)ethyl]-1-methyl-N-[(1-methylimidazol-2-yl)methyl]indole-2-carboxamide

C25H25N5O — CID 42796907

IUPACN-[2-(1H-indol-3-yl)ethyl]-1-methyl-N-[(1-methylimidazol-2-yl)methyl]indole-2-carboxamide
SMILESCn1ccnc1CN(CCc1c[nH]c2ccccc12)C(=O)c1cc2ccccc2n1C
InChIInChI=1S/C25H25N5O/c1-28-14-12-26-24(28)17-30(13-11-19-16-27-21-9-5-4-8-20(19)21)25(31)23-15-18-7-3-6-10-22(18)29(23)2/h3-10,12,14-16,27H,11,13,17H2,1-2H3
InChIKeyGFVBXBGIKQSDMH-UHFFFAOYSA-N
MW411.51 g/mol
LogP4.28
Rot. Bonds6

About N-[2-(1H-indol-3-yl)ethyl]-1-methyl-N-[(1-methylimidazol-2-yl)methyl]indole-2-carboxamide

N-[2-(1H-indol-3-yl)ethyl]-1-methyl-N-[(1-methylimidazol-2-yl)methyl]indole-2-carboxamide (PubChem CID 42796907) has the molecular formula C25H25N5O and a molecular weight of 411.51 g/mol. Its IUPAC name is N-[2-(1H-indol-3-yl)ethyl]-1-methyl-N-[(1-methylimidazol-2-yl)methyl]indole-2-carboxamide.

Molecular Properties

Compound NameN-[2-(1H-indol-3-yl)ethyl]-1-methyl-N-[(1-methylimidazol-2-yl)methyl]indole-2-carboxamide
PubChem CID42796907
Molecular FormulaC25H25N5O
Molecular Weight411.51 g/mol
Exact Mass411.21
IUPAC NameN-[2-(1H-indol-3-yl)ethyl]-1-methyl-N-[(1-methylimidazol-2-yl)methyl]indole-2-carboxamide
SMILESCn1ccnc1CN(CCc1c[nH]c2ccccc12)C(=O)c1cc2ccccc2n1C
InChIInChI=1S/C25H25N5O/c1-28-14-12-26-24(28)17-30(13-11-19-16-27-21-9-5-4-8-20(19)21)25(31)23-15-18-7-3-6-10-22(18)29(23)2/h3-10,12,14-16,27H,11,13,17H2,1-2H3
InChIKeyGFVBXBGIKQSDMH-UHFFFAOYSA-N
XLogP4.28
TPSA58.85 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.51
LogP ≤ 54.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(1H-indol-3-yl)-N-methyl-N-[(1-methylimidazol-2-yl)methyl]propanamide
CID 86908150
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2-ethyl-N-[2-(1H-indol-3-yl)ethyl]-3-[methyl-[(1-methylimidazol-2-yl)methyl]amino]imidazo[1,2-a]pyridine-6-carboxamide
CID 46948149
3-[5-[2-(1H-indol-3-yl)ethyl]-1,3,4-oxadiazol-2-yl]-N-[(1-methylimidazol-2-yl)methyl]-N-propan-2-ylpropanamide
CID 42195341
(2S)-2-amino-3-(1H-indol-3-yl)-N-methyl-N-[3-(1-methylimidazol-2-yl)propyl]propanamide;dihydrochloride
CID 154902585
N-[2-(1H-indol-3-yl)ethyl]-N-[(4-methylphenyl)methyl]naphthalene-1-carboxamide
CID 1057302
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CID 77090076
N-(2-hydroxyethyl)-N-[(1-methylimidazol-2-yl)methyl]-3-(2-methylindol-1-yl)propanamide
CID 46992356
N-[2-(1H-indol-3-yl)ethyl]acetohydrazide
CID 141443100
3-[acetyl-[2-(1H-indol-3-yl)ethyl]amino]-N-(pyridin-4-ylmethyl)propanamide
CID 113121768
N-but-3-enyl-N-[2-(1H-indol-3-yl)ethyl]acetamide
CID 11448238
N-[2-(1H-indol-3-yl)ethyl]-6-methyl-2-oxo-1,6,8-triazatricyclo[7.4.0.03,7]trideca-3(7),4,8,10,12-pentaene-5-carboxamide
CID 8003951

Frequently Asked Questions

What is the IUPAC name of N-[2-(1H-indol-3-yl)ethyl]-1-methyl-N-[(1-methylimidazol-2-yl)methyl]indole-2-carboxamide?
The IUPAC name of N-[2-(1H-indol-3-yl)ethyl]-1-methyl-N-[(1-methylimidazol-2-yl)methyl]indole-2-carboxamide (CID 42796907) is N-[2-(1H-indol-3-yl)ethyl]-1-methyl-N-[(1-methylimidazol-2-yl)methyl]indole-2-carboxamide.
What is the SMILES notation for N-[2-(1H-indol-3-yl)ethyl]-1-methyl-N-[(1-methylimidazol-2-yl)methyl]indole-2-carboxamide?
The canonical SMILES for N-[2-(1H-indol-3-yl)ethyl]-1-methyl-N-[(1-methylimidazol-2-yl)methyl]indole-2-carboxamide is Cn1ccnc1CN(CCc1c[nH]c2ccccc12)C(=O)c1cc2ccccc2n1C.
What is the InChIKey of N-[2-(1H-indol-3-yl)ethyl]-1-methyl-N-[(1-methylimidazol-2-yl)methyl]indole-2-carboxamide?
The InChIKey is GFVBXBGIKQSDMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25N5O/c1-28-14-12-26-24(28)17-30(13-11-19-16-27-21-9-5-4-8-20(19)21)25(31)23-15-18-7-3-6-10-22(18)29(23)2/h3-10,12,14-16,27H,11,13,17H2,1-2H3.
What are the key properties of N-[2-(1H-indol-3-yl)ethyl]-1-methyl-N-[(1-methylimidazol-2-yl)methyl]indole-2-carboxamide?
N-[2-(1H-indol-3-yl)ethyl]-1-methyl-N-[(1-methylimidazol-2-yl)methyl]indole-2-carboxamide has a molecular weight of 411.51 g/mol, XLogP of 4.28, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1H-indol-3-yl)ethyl]-1-methyl-N-[(1-methylimidazol-2-yl)methyl]indole-2-carboxamide is sourced from PubChem (CID 42796907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).