N-(2-tert-butyl-1H-indol-5-yl)-1-(2-methyl-3H-benzimidazol-5-yl)cyclopropane-1-carboxamide

C24H26N4O — CID 46199555

IUPACN-(2-tert-butyl-1H-indol-5-yl)-1-(2-methyl-3H-benzimidazol-5-yl)cyclopropane-1-carboxamide
SMILESCc1nc2ccc(C3(C(=O)Nc4ccc5[nH]c(C(C)(C)C)cc5c4)CC3)cc2[nH]1
InChIInChI=1S/C24H26N4O/c1-14-25-19-7-5-16(13-20(19)26-14)24(9-10-24)22(29)27-17-6-8-18-15(11-17)12-21(28-18)23(2,3)4/h5-8,11-13,28H,9-10H2,1-4H3,(H,25,26)(H,27,29)
InChIKeyVLXMBRFVQFLBSF-UHFFFAOYSA-N
MW386.50 g/mol
LogP5.32
Rot. Bonds3

About N-(2-tert-butyl-1H-indol-5-yl)-1-(2-methyl-3H-benzimidazol-5-yl)cyclopropane-1-carboxamide

N-(2-tert-butyl-1H-indol-5-yl)-1-(2-methyl-3H-benzimidazol-5-yl)cyclopropane-1-carboxamide (PubChem CID 46199555) has the molecular formula C24H26N4O and a molecular weight of 386.50 g/mol. Its IUPAC name is N-(2-tert-butyl-1H-indol-5-yl)-1-(2-methyl-3H-benzimidazol-5-yl)cyclopropane-1-carboxamide.

Molecular Properties

Compound NameN-(2-tert-butyl-1H-indol-5-yl)-1-(2-methyl-3H-benzimidazol-5-yl)cyclopropane-1-carboxamide
PubChem CID46199555
Molecular FormulaC24H26N4O
Molecular Weight386.50 g/mol
Exact Mass386.21
IUPAC NameN-(2-tert-butyl-1H-indol-5-yl)-1-(2-methyl-3H-benzimidazol-5-yl)cyclopropane-1-carboxamide
SMILESCc1nc2ccc(C3(C(=O)Nc4ccc5[nH]c(C(C)(C)C)cc5c4)CC3)cc2[nH]1
InChIInChI=1S/C24H26N4O/c1-14-25-19-7-5-16(13-20(19)26-14)24(9-10-24)22(29)27-17-6-8-18-15(11-17)12-21(28-18)23(2,3)4/h5-8,11-13,28H,9-10H2,1-4H3,(H,25,26)(H,27,29)
InChIKeyVLXMBRFVQFLBSF-UHFFFAOYSA-N
XLogP5.32
TPSA73.57 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500386.50
LogP ≤ 55.32
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Analyze N-(2-tert-butyl-1H-indol-5-yl)-1-(2-methyl-3H-benzimidazol-5-yl)cyclopropane-1-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(2-tert-butyl-1H-indol-5-yl)-1-(3-fluoro-4-methylphenyl)cyclopropane-1-carboxamide
CID 134547462
CID 143559102
CID 143559102
CID 143559101
CID 143559101
N-(2-tert-butyl-1H-indol-5-yl)-1-(1,3-dihydro-2-benzofuran-5-yl)cyclopropane-1-carboxamide
CID 24762820
N-(2-tert-butyl-1H-indol-5-yl)-1-(3-methoxy-4-phenylmethoxyphenyl)cyclopropane-1-carboxamide;molecular hydrogen
CID 157159685
[2-[5-[[1-(1,3-benzodioxol-5-yl)cyclopropanecarbonyl]amino]-1H-indol-2-yl]-2-methylpropyl]carbamic acid
CID 67043946
5-[[1-(3,4-dihydroxyphenyl)cyclopropanecarbonyl]amino]-1H-indole-2-carboxamide
CID 71164182
N-[2-(2-methylbutan-2-yl)-1H-indol-5-yl]-1-phenylcyclopentane-1-carboxamide
CID 142886363
1-(1,3-benzodioxol-5-yl)-N-[2-[2-methyl-4-(methylideneamino)butan-2-yl]-1H-indol-5-yl]cyclopropane-1-carboxamide
CID 59636915
N-(2-tert-butyl-6-fluoro-1H-indol-5-yl)-1-(3,4-dihydroxyphenyl)cyclopropane-1-carboxamide
CID 70890563
1-(1,3-benzodioxol-5-yl)-N-[2-[2-methyl-4-(2H-tetrazol-5-yl)butan-2-yl]-1H-indol-5-yl]cyclopropane-1-carboxamide
CID 59129474
3-(hydroxymethyl)-N-(2-methyl-3H-benzimidazol-5-yl)oxetane-3-carboxamide
CID 115185226

Frequently Asked Questions

What is the IUPAC name of N-(2-tert-butyl-1H-indol-5-yl)-1-(2-methyl-3H-benzimidazol-5-yl)cyclopropane-1-carboxamide?
The IUPAC name of N-(2-tert-butyl-1H-indol-5-yl)-1-(2-methyl-3H-benzimidazol-5-yl)cyclopropane-1-carboxamide (CID 46199555) is N-(2-tert-butyl-1H-indol-5-yl)-1-(2-methyl-3H-benzimidazol-5-yl)cyclopropane-1-carboxamide.
What is the SMILES notation for N-(2-tert-butyl-1H-indol-5-yl)-1-(2-methyl-3H-benzimidazol-5-yl)cyclopropane-1-carboxamide?
The canonical SMILES for N-(2-tert-butyl-1H-indol-5-yl)-1-(2-methyl-3H-benzimidazol-5-yl)cyclopropane-1-carboxamide is Cc1nc2ccc(C3(C(=O)Nc4ccc5[nH]c(C(C)(C)C)cc5c4)CC3)cc2[nH]1.
What is the InChIKey of N-(2-tert-butyl-1H-indol-5-yl)-1-(2-methyl-3H-benzimidazol-5-yl)cyclopropane-1-carboxamide?
The InChIKey is VLXMBRFVQFLBSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N4O/c1-14-25-19-7-5-16(13-20(19)26-14)24(9-10-24)22(29)27-17-6-8-18-15(11-17)12-21(28-18)23(2,3)4/h5-8,11-13,28H,9-10H2,1-4H3,(H,25,26)(H,27,29).
What are the key properties of N-(2-tert-butyl-1H-indol-5-yl)-1-(2-methyl-3H-benzimidazol-5-yl)cyclopropane-1-carboxamide?
N-(2-tert-butyl-1H-indol-5-yl)-1-(2-methyl-3H-benzimidazol-5-yl)cyclopropane-1-carboxamide has a molecular weight of 386.50 g/mol, XLogP of 5.32, 3 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-tert-butyl-1H-indol-5-yl)-1-(2-methyl-3H-benzimidazol-5-yl)cyclopropane-1-carboxamide is sourced from PubChem (CID 46199555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).