[1-[4-[4-(1H-benzimidazol-2-ylamino)phenoxy]-3-pyridinyl]piperidin-4-yl]methanol

C24H25N5O2 — CID 71457746

IUPAC[1-[4-[4-(1H-benzimidazol-2-ylamino)phenoxy]-3-pyridinyl]piperidin-4-yl]methanol
SMILESOCC1CCN(c2cnccc2Oc2ccc(Nc3nc4ccccc4[nH]3)cc2)CC1
InChIInChI=1S/C24H25N5O2/c30-16-17-10-13-29(14-11-17)22-15-25-12-9-23(22)31-19-7-5-18(6-8-19)26-24-27-20-3-1-2-4-21(20)28-24/h1-9,12,15,17,30H,10-11,13-14,16H2,(H2,26,27,28)
InChIKeyOUNNTDMKBVTQFO-UHFFFAOYSA-N
MW415.50 g/mol
LogP4.70
Rot. Bonds6

About [1-[4-[4-(1H-benzimidazol-2-ylamino)phenoxy]-3-pyridinyl]piperidin-4-yl]methanol

[1-[4-[4-(1H-benzimidazol-2-ylamino)phenoxy]-3-pyridinyl]piperidin-4-yl]methanol (PubChem CID 71457746) has the molecular formula C24H25N5O2 and a molecular weight of 415.50 g/mol. Its IUPAC name is [1-[4-[4-(1H-benzimidazol-2-ylamino)phenoxy]-3-pyridinyl]piperidin-4-yl]methanol.

Molecular Properties

Compound Name[1-[4-[4-(1H-benzimidazol-2-ylamino)phenoxy]-3-pyridinyl]piperidin-4-yl]methanol
PubChem CID71457746
Molecular FormulaC24H25N5O2
Molecular Weight415.50 g/mol
Exact Mass415.20
IUPAC Name[1-[4-[4-(1H-benzimidazol-2-ylamino)phenoxy]-3-pyridinyl]piperidin-4-yl]methanol
SMILESOCC1CCN(c2cnccc2Oc2ccc(Nc3nc4ccccc4[nH]3)cc2)CC1
InChIInChI=1S/C24H25N5O2/c30-16-17-10-13-29(14-11-17)22-15-25-12-9-23(22)31-19-7-5-18(6-8-19)26-24-27-20-3-1-2-4-21(20)28-24/h1-9,12,15,17,30H,10-11,13-14,16H2,(H2,26,27,28)
InChIKeyOUNNTDMKBVTQFO-UHFFFAOYSA-N
XLogP4.70
TPSA86.30 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.50
LogP ≤ 54.70
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

N-{4-[3-(dimethylamino)-2-hydroxypropoxy]phenyl}-4-{2-methylimidazo[1,2-a]pyridin-3-yl}pyrimidin-2-amine
CID 6539010
6-Cyclohexylmethyloxy-2-(4'-hydroxyanilino)purine
CID 447649
(1-{3-[4-(1h-Benzimidazol-2-Ylamino)phenoxy]pyridin-2-Yl}piperidin-4-Yl)methanol
CID 70679302
5-Substituted 1-Phenylbenzimidazole 19
CID 5328509
5-Substituted 1-Phenylbenzimidazole 20
CID 5328510
5-Substituted 1-Phenylbenzimidazole 21
CID 5328511
O6-Cyclohexylmethylguanine deriv. 26
CID 5329560
2-{4-[(6,7-Difluoro-1h-Benzimidazol-2-Yl)amino]phenoxy}-N-Methyl-3,4'-Bipyridin-2'-Amine
CID 24983496
5-fluoro-1-(4-(3-(piperidin-1-yl)propoxy)phenyl)-2-(pyridin-2-yl)-1H-benzo[d]imidazole
CID 11532065
6-(Benzimidazol-1-Yl)-N-[5-[3-(Dimethylamino)propoxy]pyridin-2-Yl]pyrimidin-4-Amine
CID 76871873
[1-[2-[4-(1H-benzimidazol-2-ylamino)phenoxy]phenyl]piperidin-4-yl]methanol
CID 71450591
[1-[3-[4-[(1-Methylbenzimidazol-2-yl)amino]phenoxy]pyrazin-2-yl]piperidin-4-yl]methanol
CID 71452430

Frequently Asked Questions

What is the IUPAC name of [1-[4-[4-(1H-benzimidazol-2-ylamino)phenoxy]-3-pyridinyl]piperidin-4-yl]methanol?
The IUPAC name of [1-[4-[4-(1H-benzimidazol-2-ylamino)phenoxy]-3-pyridinyl]piperidin-4-yl]methanol (CID 71457746) is [1-[4-[4-(1H-benzimidazol-2-ylamino)phenoxy]-3-pyridinyl]piperidin-4-yl]methanol.
What is the SMILES notation for [1-[4-[4-(1H-benzimidazol-2-ylamino)phenoxy]-3-pyridinyl]piperidin-4-yl]methanol?
The canonical SMILES for [1-[4-[4-(1H-benzimidazol-2-ylamino)phenoxy]-3-pyridinyl]piperidin-4-yl]methanol is OCC1CCN(c2cnccc2Oc2ccc(Nc3nc4ccccc4[nH]3)cc2)CC1.
What is the InChIKey of [1-[4-[4-(1H-benzimidazol-2-ylamino)phenoxy]-3-pyridinyl]piperidin-4-yl]methanol?
The InChIKey is OUNNTDMKBVTQFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25N5O2/c30-16-17-10-13-29(14-11-17)22-15-25-12-9-23(22)31-19-7-5-18(6-8-19)26-24-27-20-3-1-2-4-21(20)28-24/h1-9,12,15,17,30H,10-11,13-14,16H2,(H2,26,27,28).
What are the key properties of [1-[4-[4-(1H-benzimidazol-2-ylamino)phenoxy]-3-pyridinyl]piperidin-4-yl]methanol?
[1-[4-[4-(1H-benzimidazol-2-ylamino)phenoxy]-3-pyridinyl]piperidin-4-yl]methanol has a molecular weight of 415.50 g/mol, XLogP of 4.70, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[4-[4-(1H-benzimidazol-2-ylamino)phenoxy]-3-pyridinyl]piperidin-4-yl]methanol is sourced from PubChem (CID 71457746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).