N-(3-imidazol-1-ylpropyl)-2-(5-propan-2-yloxy-1H-indazol-3-yl)-3H-benzimidazol-5-amine

C23H25N7O — CID 135820421

IUPACN-(3-imidazol-1-ylpropyl)-2-(5-propan-2-yloxy-1H-indazol-3-yl)-3H-benzimidazol-5-amine
SMILESCC(C)Oc1ccc2[nH]nc(-c3nc4ccc(NCCCn5ccnc5)cc4[nH]3)c2c1
InChIInChI=1S/C23H25N7O/c1-15(2)31-17-5-7-19-18(13-17)22(29-28-19)23-26-20-6-4-16(12-21(20)27-23)25-8-3-10-30-11-9-24-14-30/h4-7,9,11-15,25H,3,8,10H2,1-2H3,(H,26,27)(H,28,29)
InChIKeyORXFRALLTDQCQK-UHFFFAOYSA-N
MW415.50 g/mol
LogP4.59
Rot. Bonds8

About N-(3-imidazol-1-ylpropyl)-2-(5-propan-2-yloxy-1H-indazol-3-yl)-3H-benzimidazol-5-amine

N-(3-imidazol-1-ylpropyl)-2-(5-propan-2-yloxy-1H-indazol-3-yl)-3H-benzimidazol-5-amine (PubChem CID 135820421) has the molecular formula C23H25N7O and a molecular weight of 415.50 g/mol. Its IUPAC name is N-(3-imidazol-1-ylpropyl)-2-(5-propan-2-yloxy-1H-indazol-3-yl)-3H-benzimidazol-5-amine.

Molecular Properties

Compound NameN-(3-imidazol-1-ylpropyl)-2-(5-propan-2-yloxy-1H-indazol-3-yl)-3H-benzimidazol-5-amine
PubChem CID135820421
Molecular FormulaC23H25N7O
Molecular Weight415.50 g/mol
Exact Mass415.21
IUPAC NameN-(3-imidazol-1-ylpropyl)-2-(5-propan-2-yloxy-1H-indazol-3-yl)-3H-benzimidazol-5-amine
SMILESCC(C)Oc1ccc2[nH]nc(-c3nc4ccc(NCCCn5ccnc5)cc4[nH]3)c2c1
InChIInChI=1S/C23H25N7O/c1-15(2)31-17-5-7-19-18(13-17)22(29-28-19)23-26-20-6-4-16(12-21(20)27-23)25-8-3-10-30-11-9-24-14-30/h4-7,9,11-15,25H,3,8,10H2,1-2H3,(H,26,27)(H,28,29)
InChIKeyORXFRALLTDQCQK-UHFFFAOYSA-N
XLogP4.59
TPSA96.44 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.50
LogP ≤ 54.59
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-(5-ethoxy-1H-indazol-3-yl)-N-(3-imidazol-1-ylpropyl)-3H-benzimidazol-5-amine
CID 135820037
2-(5-methoxy-1H-indazol-3-yl)-N-(pyridin-2-ylmethyl)-3H-benzimidazol-5-amine
CID 135820215
2-(1H-[1,3]dioxolo[4,5-f]indazol-3-yl)-N-(3-pyrrolidin-1-ylpropyl)-3H-benzimidazol-5-amine
CID 135820553
2-(5-bromo-1H-indazol-3-yl)-N-(pyridin-4-ylmethyl)-3H-benzimidazol-5-amine
CID 135820181
2-(5-fluoro-1H-indazol-3-yl)-N-(2-pyridin-3-ylethyl)-3H-benzimidazol-5-amine
CID 135820349
5,6-dichloro-2-[5-[1-(3,5-dichloro-4-pyridinyl)ethoxy]-1H-indazol-3-yl]-1H-benzimidazole
CID 137133132
1-N-(3-imidazol-1-ylpropyl)-3-N,3-N-dimethylbenzene-1,3-diamine
CID 82539232
4-(3-imidazol-1-ylpropylamino)pyridine-2-carbonitrile
CID 62924993
3-(4-methylpyrimidin-2-yl)-5-propan-2-yloxy-1H-indazole
CID 167172229
N-(3-imidazol-1-ylpropyl)-3,4,5-trimethoxyaniline
CID 61494818
5-amino-N-(3-imidazol-1-ylpropyl)-1H-indazole-3-carboxamide
CID 60906487
N-[(3,4-dimethoxyphenyl)methyl]-3-[6-(4-methylpiperazin-1-yl)-1H-benzimidazol-2-yl]-1H-indazol-5-amine
CID 135819915

Frequently Asked Questions

What is the IUPAC name of N-(3-imidazol-1-ylpropyl)-2-(5-propan-2-yloxy-1H-indazol-3-yl)-3H-benzimidazol-5-amine?
The IUPAC name of N-(3-imidazol-1-ylpropyl)-2-(5-propan-2-yloxy-1H-indazol-3-yl)-3H-benzimidazol-5-amine (CID 135820421) is N-(3-imidazol-1-ylpropyl)-2-(5-propan-2-yloxy-1H-indazol-3-yl)-3H-benzimidazol-5-amine.
What is the SMILES notation for N-(3-imidazol-1-ylpropyl)-2-(5-propan-2-yloxy-1H-indazol-3-yl)-3H-benzimidazol-5-amine?
The canonical SMILES for N-(3-imidazol-1-ylpropyl)-2-(5-propan-2-yloxy-1H-indazol-3-yl)-3H-benzimidazol-5-amine is CC(C)Oc1ccc2[nH]nc(-c3nc4ccc(NCCCn5ccnc5)cc4[nH]3)c2c1.
What is the InChIKey of N-(3-imidazol-1-ylpropyl)-2-(5-propan-2-yloxy-1H-indazol-3-yl)-3H-benzimidazol-5-amine?
The InChIKey is ORXFRALLTDQCQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N7O/c1-15(2)31-17-5-7-19-18(13-17)22(29-28-19)23-26-20-6-4-16(12-21(20)27-23)25-8-3-10-30-11-9-24-14-30/h4-7,9,11-15,25H,3,8,10H2,1-2H3,(H,26,27)(H,28,29).
What are the key properties of N-(3-imidazol-1-ylpropyl)-2-(5-propan-2-yloxy-1H-indazol-3-yl)-3H-benzimidazol-5-amine?
N-(3-imidazol-1-ylpropyl)-2-(5-propan-2-yloxy-1H-indazol-3-yl)-3H-benzimidazol-5-amine has a molecular weight of 415.50 g/mol, XLogP of 4.59, 8 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-imidazol-1-ylpropyl)-2-(5-propan-2-yloxy-1H-indazol-3-yl)-3H-benzimidazol-5-amine is sourced from PubChem (CID 135820421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).