N,N-bis(1H-benzimidazol-2-ylmethyl)-2-propylaniline;chromium

C25H25CrN5 — CID 87784847

IUPACN,N-bis(1H-benzimidazol-2-ylmethyl)-2-propylaniline;chromium
SMILESCCCc1ccccc1N(Cc1nc2ccccc2[nH]1)Cc1nc2ccccc2[nH]1.[Cr]
InChIInChI=1S/C25H25N5.Cr/c1-2-9-18-10-3-8-15-23(18)30(16-24-26-19-11-4-5-12-20(19)27-24)17-25-28-21-13-6-7-14-22(21)29-25;/h3-8,10-15H,2,9,16-17H2,1H3,(H,26,27)(H,28,29);
InChIKeyKPSAVUZCLVUXHI-UHFFFAOYSA-N
MW447.51 g/mol
LogP5.60
Rot. Bonds7

About N,N-bis(1H-benzimidazol-2-ylmethyl)-2-propylaniline;chromium

N,N-bis(1H-benzimidazol-2-ylmethyl)-2-propylaniline;chromium (PubChem CID 87784847) has the molecular formula C25H25CrN5 and a molecular weight of 447.51 g/mol. Its IUPAC name is N,N-bis(1H-benzimidazol-2-ylmethyl)-2-propylaniline;chromium.

Molecular Properties

Compound NameN,N-bis(1H-benzimidazol-2-ylmethyl)-2-propylaniline;chromium
PubChem CID87784847
Molecular FormulaC25H25CrN5
Molecular Weight447.51 g/mol
Exact Mass447.15
IUPAC NameN,N-bis(1H-benzimidazol-2-ylmethyl)-2-propylaniline;chromium
SMILESCCCc1ccccc1N(Cc1nc2ccccc2[nH]1)Cc1nc2ccccc2[nH]1.[Cr]
InChIInChI=1S/C25H25N5.Cr/c1-2-9-18-10-3-8-15-23(18)30(16-24-26-19-11-4-5-12-20(19)27-24)17-25-28-21-13-6-7-14-22(21)29-25;/h3-8,10-15H,2,9,16-17H2,1H3,(H,26,27)(H,28,29);
InChIKeyKPSAVUZCLVUXHI-UHFFFAOYSA-N
XLogP5.60
TPSA60.60 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500447.51
LogP ≤ 55.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of N,N-bis(1H-benzimidazol-2-ylmethyl)-2-propylaniline;chromium?
The IUPAC name of N,N-bis(1H-benzimidazol-2-ylmethyl)-2-propylaniline;chromium (CID 87784847) is N,N-bis(1H-benzimidazol-2-ylmethyl)-2-propylaniline;chromium.
What is the SMILES notation for N,N-bis(1H-benzimidazol-2-ylmethyl)-2-propylaniline;chromium?
The canonical SMILES for N,N-bis(1H-benzimidazol-2-ylmethyl)-2-propylaniline;chromium is CCCc1ccccc1N(Cc1nc2ccccc2[nH]1)Cc1nc2ccccc2[nH]1.[Cr].
What is the InChIKey of N,N-bis(1H-benzimidazol-2-ylmethyl)-2-propylaniline;chromium?
The InChIKey is KPSAVUZCLVUXHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25N5.Cr/c1-2-9-18-10-3-8-15-23(18)30(16-24-26-19-11-4-5-12-20(19)27-24)17-25-28-21-13-6-7-14-22(21)29-25;/h3-8,10-15H,2,9,16-17H2,1H3,(H,26,27)(H,28,29);.
What are the key properties of N,N-bis(1H-benzimidazol-2-ylmethyl)-2-propylaniline;chromium?
N,N-bis(1H-benzimidazol-2-ylmethyl)-2-propylaniline;chromium has a molecular weight of 447.51 g/mol, XLogP of 5.60, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-bis(1H-benzimidazol-2-ylmethyl)-2-propylaniline;chromium is sourced from PubChem (CID 87784847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).