2-[5-[1-(1H-benzimidazol-2-yl)ethylcarbamoylamino]indol-1-yl]-N,N-diethylacetamide

C24H28N6O2 — CID 86889777

IUPAC2-[5-[1-(1H-benzimidazol-2-yl)ethylcarbamoylamino]indol-1-yl]-N,N-diethylacetamide
SMILESCCN(CC)C(=O)Cn1ccc2cc(NC(=O)NC(C)c3nc4ccccc4[nH]3)ccc21
InChIInChI=1S/C24H28N6O2/c1-4-29(5-2)22(31)15-30-13-12-17-14-18(10-11-21(17)30)26-24(32)25-16(3)23-27-19-8-6-7-9-20(19)28-23/h6-14,16H,4-5,15H2,1-3H3,(H,27,28)(H2,25,26,32)
InChIKeyBXJWXXRSZYWIEQ-UHFFFAOYSA-N
MW432.53 g/mol
LogP4.27
Rot. Bonds7

About 2-[5-[1-(1H-benzimidazol-2-yl)ethylcarbamoylamino]indol-1-yl]-N,N-diethylacetamide

2-[5-[1-(1H-benzimidazol-2-yl)ethylcarbamoylamino]indol-1-yl]-N,N-diethylacetamide (PubChem CID 86889777) has the molecular formula C24H28N6O2 and a molecular weight of 432.53 g/mol. Its IUPAC name is 2-[5-[1-(1H-benzimidazol-2-yl)ethylcarbamoylamino]indol-1-yl]-N,N-diethylacetamide.

Molecular Properties

Compound Name2-[5-[1-(1H-benzimidazol-2-yl)ethylcarbamoylamino]indol-1-yl]-N,N-diethylacetamide
PubChem CID86889777
Molecular FormulaC24H28N6O2
Molecular Weight432.53 g/mol
Exact Mass432.23
IUPAC Name2-[5-[1-(1H-benzimidazol-2-yl)ethylcarbamoylamino]indol-1-yl]-N,N-diethylacetamide
SMILESCCN(CC)C(=O)Cn1ccc2cc(NC(=O)NC(C)c3nc4ccccc4[nH]3)ccc21
InChIInChI=1S/C24H28N6O2/c1-4-29(5-2)22(31)15-30-13-12-17-14-18(10-11-21(17)30)26-24(32)25-16(3)23-27-19-8-6-7-9-20(19)28-23/h6-14,16H,4-5,15H2,1-3H3,(H,27,28)(H2,25,26,32)
InChIKeyBXJWXXRSZYWIEQ-UHFFFAOYSA-N
XLogP4.27
TPSA95.05 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.53
LogP ≤ 54.27
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N,N-diethyl-2-[5-[[2-hydroxy-2-(4-methylphenyl)ethyl]carbamoylamino]indol-1-yl]acetamide
CID 86889809
N-[5-[1-(1H-benzimidazol-2-yl)ethylcarbamoylamino]-2-fluorophenyl]acetamide
CID 86988262
2-[4-[1-(1H-benzimidazol-2-yl)ethylcarbamoylamino]phenyl]-N-methylacetamide
CID 86988501
1-[1-(1H-benzimidazol-2-yl)ethyl]-3-[3-(trifluoromethyl)phenyl]urea
CID 2906148
4,5-dichloro-N-[1-[2-(diethylamino)-2-oxoethyl]indol-5-yl]-1H-pyrrole-2-carboxamide
CID 86874780
3-[[1-[2-(diethylamino)-2-oxoethyl]indol-5-yl]carbamoylamino]-2-hydroxy-2-methylpropanoic acid
CID 122079445
2-[5-[(2-ethoxy-3-pyridinyl)methylcarbamoylamino]indol-1-yl]-N,N-diethylacetamide
CID 86889821
1-[1-(1H-benzimidazol-2-yl)ethyl]-3-pyridin-3-ylurea
CID 18129110
N-[(1S)-1-(1H-benzimidazol-2-yl)ethyl]propanamide
CID 751231
1-[1-(1H-benzimidazol-2-yl)ethyl]-3-propan-2-ylurea
CID 23548549
N-[1-(1H-benzimidazol-2-yl)-2-methylpropyl]-2-indol-1-ylacetamide
CID 86207491
1-[1-(1H-benzimidazol-2-yl)ethyl]-3-naphthalen-1-ylurea
CID 18144661

Frequently Asked Questions

What is the IUPAC name of 2-[5-[1-(1H-benzimidazol-2-yl)ethylcarbamoylamino]indol-1-yl]-N,N-diethylacetamide?
The IUPAC name of 2-[5-[1-(1H-benzimidazol-2-yl)ethylcarbamoylamino]indol-1-yl]-N,N-diethylacetamide (CID 86889777) is 2-[5-[1-(1H-benzimidazol-2-yl)ethylcarbamoylamino]indol-1-yl]-N,N-diethylacetamide.
What is the SMILES notation for 2-[5-[1-(1H-benzimidazol-2-yl)ethylcarbamoylamino]indol-1-yl]-N,N-diethylacetamide?
The canonical SMILES for 2-[5-[1-(1H-benzimidazol-2-yl)ethylcarbamoylamino]indol-1-yl]-N,N-diethylacetamide is CCN(CC)C(=O)Cn1ccc2cc(NC(=O)NC(C)c3nc4ccccc4[nH]3)ccc21.
What is the InChIKey of 2-[5-[1-(1H-benzimidazol-2-yl)ethylcarbamoylamino]indol-1-yl]-N,N-diethylacetamide?
The InChIKey is BXJWXXRSZYWIEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N6O2/c1-4-29(5-2)22(31)15-30-13-12-17-14-18(10-11-21(17)30)26-24(32)25-16(3)23-27-19-8-6-7-9-20(19)28-23/h6-14,16H,4-5,15H2,1-3H3,(H,27,28)(H2,25,26,32).
What are the key properties of 2-[5-[1-(1H-benzimidazol-2-yl)ethylcarbamoylamino]indol-1-yl]-N,N-diethylacetamide?
2-[5-[1-(1H-benzimidazol-2-yl)ethylcarbamoylamino]indol-1-yl]-N,N-diethylacetamide has a molecular weight of 432.53 g/mol, XLogP of 4.27, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-[1-(1H-benzimidazol-2-yl)ethylcarbamoylamino]indol-1-yl]-N,N-diethylacetamide is sourced from PubChem (CID 86889777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).