2-[6-(quinazolin-4-ylamino)-1H-benzimidazol-2-yl]phenol

C21H15N5O — CID 137083622

IUPAC2-[6-(quinazolin-4-ylamino)-1H-benzimidazol-2-yl]phenol
SMILESOc1ccccc1-c1nc2ccc(Nc3ncnc4ccccc34)cc2[nH]1
InChIInChI=1S/C21H15N5O/c27-19-8-4-2-6-15(19)21-25-17-10-9-13(11-18(17)26-21)24-20-14-5-1-3-7-16(14)22-12-23-20/h1-12,27H,(H,25,26)(H,22,23,24)
InChIKeyFXCONVNZKYYYEP-UHFFFAOYSA-N
MW353.39 g/mol
LogP4.62
Rot. Bonds3

About 2-[6-(quinazolin-4-ylamino)-1H-benzimidazol-2-yl]phenol

2-[6-(quinazolin-4-ylamino)-1H-benzimidazol-2-yl]phenol (PubChem CID 137083622) has the molecular formula C21H15N5O and a molecular weight of 353.39 g/mol. Its IUPAC name is 2-[6-(quinazolin-4-ylamino)-1H-benzimidazol-2-yl]phenol.

Molecular Properties

Compound Name2-[6-(quinazolin-4-ylamino)-1H-benzimidazol-2-yl]phenol
PubChem CID137083622
Molecular FormulaC21H15N5O
Molecular Weight353.39 g/mol
Exact Mass353.13
IUPAC Name2-[6-(quinazolin-4-ylamino)-1H-benzimidazol-2-yl]phenol
SMILESOc1ccccc1-c1nc2ccc(Nc3ncnc4ccccc34)cc2[nH]1
InChIInChI=1S/C21H15N5O/c27-19-8-4-2-6-15(19)21-25-17-10-9-13(11-18(17)26-21)24-20-14-5-1-3-7-16(14)22-12-23-20/h1-12,27H,(H,25,26)(H,22,23,24)
InChIKeyFXCONVNZKYYYEP-UHFFFAOYSA-N
XLogP4.62
TPSA86.72 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.39
LogP ≤ 54.62
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

Bisbenzimidazole
CID 2392
2-(2'-Hydroxyphenyl)benzimidazole
CID 18075
2-{4-[(3s)-Pyrrolidin-3-Ylamino]quinazolin-2-Yl}phenol
CID 135566381
Phenol, p-(5-(5-(4-methyl-1-piperazinyl)-2-benzimidazolyl)-2-benzimidazolyl)-, hydrochloride
CID 182069
6-phenyl[5H]pyrrolo[2,3-b]pyrazine (aloisine) 11
CID 135434951
2-{[(1-isopropyl-1H-benzimidazol-5-yl)amino]methyl}phenol
CID 6621322
(S)-2-(4-(1-methylpyrrolidin-3-ylamino)quinazolin-2-yl)phenol
CID 135921309
(S)-2-(4-(Methyl(pyrrolidin-3-yl)amino)quinazolin-2-yl)phenol
CID 135921415
4-[6-(4-methylpiperazin-1-yl)-1H-benzimidazol-2-yl]phenol
CID 135731543
4-[(E)-{[2-(1H-benzimidazol-2-yl)phenyl]imino}methyl]phenol
CID 917252
3-(6-amino-2-(1H-benzo[d]imidazol-1-yl)pyrimidin-4-ylamino)-4-methylphenol
CID 44419942
3-(2-(1H-benzo[d]imidazol-1-yl)-6-(methylamino)pyrimidin-4-ylamino)-4-methylphenol
CID 44419943

Frequently Asked Questions

What is the IUPAC name of 2-[6-(quinazolin-4-ylamino)-1H-benzimidazol-2-yl]phenol?
The IUPAC name of 2-[6-(quinazolin-4-ylamino)-1H-benzimidazol-2-yl]phenol (CID 137083622) is 2-[6-(quinazolin-4-ylamino)-1H-benzimidazol-2-yl]phenol.
What is the SMILES notation for 2-[6-(quinazolin-4-ylamino)-1H-benzimidazol-2-yl]phenol?
The canonical SMILES for 2-[6-(quinazolin-4-ylamino)-1H-benzimidazol-2-yl]phenol is Oc1ccccc1-c1nc2ccc(Nc3ncnc4ccccc34)cc2[nH]1.
What is the InChIKey of 2-[6-(quinazolin-4-ylamino)-1H-benzimidazol-2-yl]phenol?
The InChIKey is FXCONVNZKYYYEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H15N5O/c27-19-8-4-2-6-15(19)21-25-17-10-9-13(11-18(17)26-21)24-20-14-5-1-3-7-16(14)22-12-23-20/h1-12,27H,(H,25,26)(H,22,23,24).
What are the key properties of 2-[6-(quinazolin-4-ylamino)-1H-benzimidazol-2-yl]phenol?
2-[6-(quinazolin-4-ylamino)-1H-benzimidazol-2-yl]phenol has a molecular weight of 353.39 g/mol, XLogP of 4.62, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-(quinazolin-4-ylamino)-1H-benzimidazol-2-yl]phenol is sourced from PubChem (CID 137083622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).